4-methoxy-N-phenyl-N-propan-2-ylaniline;bis(N-phenyl-N-propan-2-ylaniline);bis(N-phenyl-N-propan-2-ylnaphthalen-2-amine);N-phenyl-N-propan-2-ylpyridin-4-amine;9-propan-2-ylcarbazole;N-propan-2-yl-N-pyridin-4-ylpyridin-4-amine;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;9-propan-2-ylpyrido[3,4-b]indole;8-propan-2-yl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C247H258N34O — CID 161404129

IUPAC4-methoxy-N-phenyl-N-propan-2-ylaniline;bis(N-phenyl-N-propan-2-ylaniline);bis(N-phenyl-N-propan-2-ylnaphthalen-2-amine);N-phenyl-N-propan-2-ylpyridin-4-amine;9-propan-2-ylcarbazole;N-propan-2-yl-N-pyridin-4-ylpyridin-4-amine;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;9-propan-2-ylpyrido[3,4-b]indole;8-propan-2-yl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC(C)N(c1ccccc1)c1ccc2ccccc2c1.CC(C)N(c1ccccc1)c1ccc2ccccc2c1.CC(C)N(c1ccccc1)c1ccccc1.CC(C)N(c1ccccc1)c1ccccc1.CC(C)N(c1ccccc1)c1ccncc1.CC(C)N(c1ccncc1)c1ccncc1.CC(C)n1c2ccccc2c2ccccc21.CC(C)n1c2ccccc2c2cccnc21.CC(C)n1c2ccccc2c2ccncc21.CC(C)n1c2ccccc2c2cnccc21.CC(C)n1c2ccccc2c2ncccc21.CC(C)n1c2cccnc2c2cccnc21.CC(C)n1c2ccncc2c2cccnc21.CC(C)n1c2cnccc2c2cccnc21.CC(C)n1c2cnccc2c2ccncc21.CC(C)n1c2ncccc2c2cccnc21.COc1ccc(N(c2ccccc2)C(C)C)cc1
InChIInChI=1S/2C19H19N.C16H19NO.C15H15N.2C15H17N.4C14H14N2.C14H16N2.5C13H13N3.C13H15N3/c2*1-15(2)20(18-10-4-3-5-11-18)19-13-12-16-8-6-7-9-17(16)14-19;1-13(2)17(14-7-5-4-6-8-14)15-9-11-16(18-3)12-10-15;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;2*1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-10(2)16-13-8-4-3-6-11(13)12-7-5-9-15-14(12)16;1-10(2)16-12-7-4-3-6-11(12)14-13(16)8-5-9-15-14;1-10(2)16-13-6-4-3-5-11(13)12-9-15-8-7-14(12)16;1-10(2)16-13-6-4-3-5-11(13)12-7-8-15-9-14(12)16;1-12(2)16(13-6-4-3-5-7-13)14-8-10-15-11-9-14;1-9(2)16-12-7-14-5-3-10(12)11-4-6-15-8-13(11)16;1-9(2)16-11-6-4-7-14-12(11)10-5-3-8-15-13(10)16;1-9(2)16-12-10(5-3-7-14-12)11-6-4-8-15-13(11)16;1-9(2)16-12-8-14-7-5-10(12)11-4-3-6-15-13(11)16;1-9(2)16-12-5-7-14-8-11(12)10-4-3-6-15-13(10)16;1-11(2)16(12-3-7-14-8-4-12)13-5-9-15-10-6-13/h2*3-15H,1-2H3;4-13H,1-3H3;3-11H,1-2H3;2*3-13H,1-2H3;4*3-10H,1-2H3;3-12H,1-2H3;5*3-9H,1-2H3;3-11H,1-2H3
InChIKeyVUPPXYRRDKRWHU-UHFFFAOYSA-N
MW3719.02 g/mol
LogP65.42
Rot. Bonds32

About 4-methoxy-N-phenyl-N-propan-2-ylaniline;bis(N-phenyl-N-propan-2-ylaniline);bis(N-phenyl-N-propan-2-ylnaphthalen-2-amine);N-phenyl-N-propan-2-ylpyridin-4-amine;9-propan-2-ylcarbazole;N-propan-2-yl-N-pyridin-4-ylpyridin-4-amine;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;9-propan-2-ylpyrido[3,4-b]indole;8-propan-2-yl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-methoxy-N-phenyl-N-propan-2-ylaniline;bis(N-phenyl-N-propan-2-ylaniline);bis(N-phenyl-N-propan-2-ylnaphthalen-2-amine);N-phenyl-N-propan-2-ylpyridin-4-amine;9-propan-2-ylcarbazole;N-propan-2-yl-N-pyridin-4-ylpyridin-4-amine;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;9-propan-2-ylpyrido[3,4-b]indole;8-propan-2-yl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 161404129) has the molecular formula C247H258N34O and a molecular weight of 3719.02 g/mol. Its IUPAC name is 4-methoxy-N-phenyl-N-propan-2-ylaniline;bis(N-phenyl-N-propan-2-ylaniline);bis(N-phenyl-N-propan-2-ylnaphthalen-2-amine);N-phenyl-N-propan-2-ylpyridin-4-amine;9-propan-2-ylcarbazole;N-propan-2-yl-N-pyridin-4-ylpyridin-4-amine;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;9-propan-2-ylpyrido[3,4-b]indole;8-propan-2-yl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4-methoxy-N-phenyl-N-propan-2-ylaniline;bis(N-phenyl-N-propan-2-ylaniline);bis(N-phenyl-N-propan-2-ylnaphthalen-2-amine);N-phenyl-N-propan-2-ylpyridin-4-amine;9-propan-2-ylcarbazole;N-propan-2-yl-N-pyridin-4-ylpyridin-4-amine;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;9-propan-2-ylpyrido[3,4-b]indole;8-propan-2-yl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID161404129
Molecular FormulaC247H258N34O
Molecular Weight3719.02 g/mol
Exact Mass3716.12
IUPAC Name4-methoxy-N-phenyl-N-propan-2-ylaniline;bis(N-phenyl-N-propan-2-ylaniline);bis(N-phenyl-N-propan-2-ylnaphthalen-2-amine);N-phenyl-N-propan-2-ylpyridin-4-amine;9-propan-2-ylcarbazole;N-propan-2-yl-N-pyridin-4-ylpyridin-4-amine;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;9-propan-2-ylpyrido[3,4-b]indole;8-propan-2-yl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCC(C)N(c1ccccc1)c1ccc2ccccc2c1.CC(C)N(c1ccccc1)c1ccc2ccccc2c1.CC(C)N(c1ccccc1)c1ccccc1.CC(C)N(c1ccccc1)c1ccccc1.CC(C)N(c1ccccc1)c1ccncc1.CC(C)N(c1ccncc1)c1ccncc1.CC(C)n1c2ccccc2c2ccccc21.CC(C)n1c2ccccc2c2cccnc21.CC(C)n1c2ccccc2c2ccncc21.CC(C)n1c2ccccc2c2cnccc21.CC(C)n1c2ccccc2c2ncccc21.CC(C)n1c2cccnc2c2cccnc21.CC(C)n1c2ccncc2c2cccnc21.CC(C)n1c2cnccc2c2cccnc21.CC(C)n1c2cnccc2c2ccncc21.CC(C)n1c2ncccc2c2cccnc21.COc1ccc(N(c2ccccc2)C(C)C)cc1
InChIInChI=1S/2C19H19N.C16H19NO.C15H15N.2C15H17N.4C14H14N2.C14H16N2.5C13H13N3.C13H15N3/c2*1-15(2)20(18-10-4-3-5-11-18)19-13-12-16-8-6-7-9-17(16)14-19;1-13(2)17(14-7-5-4-6-8-14)15-9-11-16(18-3)12-10-15;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;2*1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-10(2)16-13-8-4-3-6-11(13)12-7-5-9-15-14(12)16;1-10(2)16-12-7-4-3-6-11(12)14-13(16)8-5-9-15-14;1-10(2)16-13-6-4-3-5-11(13)12-9-15-8-7-14(12)16;1-10(2)16-13-6-4-3-5-11(13)12-7-8-15-9-14(12)16;1-12(2)16(13-6-4-3-5-7-13)14-8-10-15-11-9-14;1-9(2)16-12-7-14-5-3-10(12)11-4-6-15-8-13(11)16;1-9(2)16-11-6-4-7-14-12(11)10-5-3-8-15-13(10)16;1-9(2)16-12-10(5-3-7-14-12)11-6-4-8-15-13(11)16;1-9(2)16-12-8-14-7-5-10(12)11-4-3-6-15-13(11)16;1-9(2)16-12-5-7-14-8-11(12)10-4-3-6-15-13(10)16;1-11(2)16(12-3-7-14-8-4-12)13-5-9-15-10-6-13/h2*3-15H,1-2H3;4-13H,1-3H3;3-11H,1-2H3;2*3-13H,1-2H3;4*3-10H,1-2H3;3-12H,1-2H3;5*3-9H,1-2H3;3-11H,1-2H3
InChIKeyVUPPXYRRDKRWHU-UHFFFAOYSA-N
XLogP65.42
TPSA300.34 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds32
Heavy Atoms282
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003719.02
LogP ≤ 565.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 4-methoxy-N-phenyl-N-propan-2-ylaniline;bis(N-phenyl-N-propan-2-ylaniline);bis(N-phenyl-N-propan-2-ylnaphthalen-2-amine);N-phenyl-N-propan-2-ylpyridin-4-amine;9-propan-2-ylcarbazole;N-propan-2-yl-N-pyridin-4-ylpyridin-4-amine;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;9-propan-2-ylpyrido[3,4-b]indole;8-propan-2-yl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

2,7-di(carbazol-9-yl)-9-propan-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-propan-2-ylcarbazole;9-propan-2-ylcarbazole;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;3-N,3-N,6-N,6-N-tetraphenyl-9-propan-2-ylcarbazole-3,6-diamine
CID 159345412
5-phenyl-8-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[4,3-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[3,2-b]indole;5-phenyl-8-(9-phenylpyrido[3,4-b]indol-6-yl)pyrido[4,3-b]indole
CID 159102469
9-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyrido[3,4-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-7-propan-2-ylpyrido[3,4-b]indole;5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyrido[4,3-b]indole;9-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-5-(trifluoromethyl)pyrido[2,3-b]indole
CID 160617878
9-[4-[6-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[2,3-b]indole;5-[4-[6-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[3,2-b]indole;5-[4-[6-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole;9-[3-[6-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[2,3-b]indole;9-[4-[6-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[3,4-b]indole
CID 158882618
4-methoxy-N-(4-methoxyphenyl)-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
CID 22900228
3,4-di(carbazol-9-yl)-2,5,11,16-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 176776078
8-methyl-3,5,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;8-methyl-3,5,8,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;8-methyl-3,5,8,11,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;8-methyl-3,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;8-methyl-3,6,8,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;8-methyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;8-methyl-3,5,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;8-methyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;8-methyl-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;8-methyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;8-methyl-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;8-methyl-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;8-methyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;8-methyl-4,6,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 159987095
bis(3-carbazol-9-yl-9-methylcarbazole);8-carbazol-9-yl-5-methylpyrido[4,3-b]indole;5-methyl-N,N-diphenylpyrido[4,3-b]indol-8-amine;9-methyl-N,N-diphenylpyrido[2,3-b]indol-6-amine
CID 159122410
3-(2-phenoxyethylsulfanyl)-5-propan-2-yl-[1,2,4]triazino[5,6-b]indole
CID 5296945
5-phenyl-12-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-phenyl-12-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[3,2-c]carbazole;5-phenyl-12-(9-phenylpyrido[3,4-b]indol-6-yl)indolo[3,2-c]carbazole
CID 162215345
N,N'-di(propan-2-yl)-1-pyrido[3,4-b]indol-9-ylmethanediamine
CID 153420870
6-propan-2-ylbenzo[c][2,7]naphthyridin-5-one
CID 154465601

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-phenyl-N-propan-2-ylaniline;bis(N-phenyl-N-propan-2-ylaniline);bis(N-phenyl-N-propan-2-ylnaphthalen-2-amine);N-phenyl-N-propan-2-ylpyridin-4-amine;9-propan-2-ylcarbazole;N-propan-2-yl-N-pyridin-4-ylpyridin-4-amine;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;9-propan-2-ylpyrido[3,4-b]indole;8-propan-2-yl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4-methoxy-N-phenyl-N-propan-2-ylaniline;bis(N-phenyl-N-propan-2-ylaniline);bis(N-phenyl-N-propan-2-ylnaphthalen-2-amine);N-phenyl-N-propan-2-ylpyridin-4-amine;9-propan-2-ylcarbazole;N-propan-2-yl-N-pyridin-4-ylpyridin-4-amine;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;9-propan-2-ylpyrido[3,4-b]indole;8-propan-2-yl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 161404129) is 4-methoxy-N-phenyl-N-propan-2-ylaniline;bis(N-phenyl-N-propan-2-ylaniline);bis(N-phenyl-N-propan-2-ylnaphthalen-2-amine);N-phenyl-N-propan-2-ylpyridin-4-amine;9-propan-2-ylcarbazole;N-propan-2-yl-N-pyridin-4-ylpyridin-4-amine;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;9-propan-2-ylpyrido[3,4-b]indole;8-propan-2-yl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4-methoxy-N-phenyl-N-propan-2-ylaniline;bis(N-phenyl-N-propan-2-ylaniline);bis(N-phenyl-N-propan-2-ylnaphthalen-2-amine);N-phenyl-N-propan-2-ylpyridin-4-amine;9-propan-2-ylcarbazole;N-propan-2-yl-N-pyridin-4-ylpyridin-4-amine;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;9-propan-2-ylpyrido[3,4-b]indole;8-propan-2-yl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4-methoxy-N-phenyl-N-propan-2-ylaniline;bis(N-phenyl-N-propan-2-ylaniline);bis(N-phenyl-N-propan-2-ylnaphthalen-2-amine);N-phenyl-N-propan-2-ylpyridin-4-amine;9-propan-2-ylcarbazole;N-propan-2-yl-N-pyridin-4-ylpyridin-4-amine;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;9-propan-2-ylpyrido[3,4-b]indole;8-propan-2-yl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is CC(C)N(c1ccccc1)c1ccc2ccccc2c1.CC(C)N(c1ccccc1)c1ccc2ccccc2c1.CC(C)N(c1ccccc1)c1ccccc1.CC(C)N(c1ccccc1)c1ccccc1.CC(C)N(c1ccccc1)c1ccncc1.CC(C)N(c1ccncc1)c1ccncc1.CC(C)n1c2ccccc2c2ccccc21.CC(C)n1c2ccccc2c2cccnc21.CC(C)n1c2ccccc2c2ccncc21.CC(C)n1c2ccccc2c2cnccc21.CC(C)n1c2ccccc2c2ncccc21.CC(C)n1c2cccnc2c2cccnc21.CC(C)n1c2ccncc2c2cccnc21.CC(C)n1c2cnccc2c2cccnc21.CC(C)n1c2cnccc2c2ccncc21.CC(C)n1c2ncccc2c2cccnc21.COc1ccc(N(c2ccccc2)C(C)C)cc1.
What is the InChIKey of 4-methoxy-N-phenyl-N-propan-2-ylaniline;bis(N-phenyl-N-propan-2-ylaniline);bis(N-phenyl-N-propan-2-ylnaphthalen-2-amine);N-phenyl-N-propan-2-ylpyridin-4-amine;9-propan-2-ylcarbazole;N-propan-2-yl-N-pyridin-4-ylpyridin-4-amine;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;9-propan-2-ylpyrido[3,4-b]indole;8-propan-2-yl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is VUPPXYRRDKRWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H19N.C16H19NO.C15H15N.2C15H17N.4C14H14N2.C14H16N2.5C13H13N3.C13H15N3/c2*1-15(2)20(18-10-4-3-5-11-18)19-13-12-16-8-6-7-9-17(16)14-19;1-13(2)17(14-7-5-4-6-8-14)15-9-11-16(18-3)12-10-15;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;2*1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-10(2)16-13-8-4-3-6-11(13)12-7-5-9-15-14(12)16;1-10(2)16-12-7-4-3-6-11(12)14-13(16)8-5-9-15-14;1-10(2)16-13-6-4-3-5-11(13)12-9-15-8-7-14(12)16;1-10(2)16-13-6-4-3-5-11(13)12-7-8-15-9-14(12)16;1-12(2)16(13-6-4-3-5-7-13)14-8-10-15-11-9-14;1-9(2)16-12-7-14-5-3-10(12)11-4-6-15-8-13(11)16;1-9(2)16-11-6-4-7-14-12(11)10-5-3-8-15-13(10)16;1-9(2)16-12-10(5-3-7-14-12)11-6-4-8-15-13(11)16;1-9(2)16-12-8-14-7-5-10(12)11-4-3-6-15-13(11)16;1-9(2)16-12-5-7-14-8-11(12)10-4-3-6-15-13(10)16;1-11(2)16(12-3-7-14-8-4-12)13-5-9-15-10-6-13/h2*3-15H,1-2H3;4-13H,1-3H3;3-11H,1-2H3;2*3-13H,1-2H3;4*3-10H,1-2H3;3-12H,1-2H3;5*3-9H,1-2H3;3-11H,1-2H3.
What are the key properties of 4-methoxy-N-phenyl-N-propan-2-ylaniline;bis(N-phenyl-N-propan-2-ylaniline);bis(N-phenyl-N-propan-2-ylnaphthalen-2-amine);N-phenyl-N-propan-2-ylpyridin-4-amine;9-propan-2-ylcarbazole;N-propan-2-yl-N-pyridin-4-ylpyridin-4-amine;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;9-propan-2-ylpyrido[3,4-b]indole;8-propan-2-yl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-methoxy-N-phenyl-N-propan-2-ylaniline;bis(N-phenyl-N-propan-2-ylaniline);bis(N-phenyl-N-propan-2-ylnaphthalen-2-amine);N-phenyl-N-propan-2-ylpyridin-4-amine;9-propan-2-ylcarbazole;N-propan-2-yl-N-pyridin-4-ylpyridin-4-amine;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;9-propan-2-ylpyrido[3,4-b]indole;8-propan-2-yl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 3719.02 g/mol, XLogP of 65.42, 32 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-phenyl-N-propan-2-ylaniline;bis(N-phenyl-N-propan-2-ylaniline);bis(N-phenyl-N-propan-2-ylnaphthalen-2-amine);N-phenyl-N-propan-2-ylpyridin-4-amine;9-propan-2-ylcarbazole;N-propan-2-yl-N-pyridin-4-ylpyridin-4-amine;5-propan-2-ylpyrido[3,2-b]indole;5-propan-2-ylpyrido[4,3-b]indole;9-propan-2-ylpyrido[2,3-b]indole;9-propan-2-ylpyrido[3,4-b]indole;8-propan-2-yl-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-propan-2-yl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 161404129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).