4-tert-butyl-N-phenyl-N-propan-2-ylaniline;N-(2,4-dimethylphenyl)-2,4-dimethyl-N-propan-2-ylaniline;4-methyl-N-(4-methylphenyl)-N-propan-2-ylaniline;3-methyl-N-phenyl-N-propan-2-ylaniline;4-methyl-N-phenyl-N-propan-2-ylaniline;N-phenyl-N,4-di(propan-2-yl)aniline;N-phenyl-N-propan-2-ylaniline;9-phenyl-4-propan-2-ylcarbazole

C141H168N8 — CID 158555390

IUPAC4-tert-butyl-N-phenyl-N-propan-2-ylaniline;N-(2,4-dimethylphenyl)-2,4-dimethyl-N-propan-2-ylaniline;4-methyl-N-(4-methylphenyl)-N-propan-2-ylaniline;3-methyl-N-phenyl-N-propan-2-ylaniline;4-methyl-N-phenyl-N-propan-2-ylaniline;N-phenyl-N,4-di(propan-2-yl)aniline;N-phenyl-N-propan-2-ylaniline;9-phenyl-4-propan-2-ylcarbazole
SMILESCC(C)N(c1ccccc1)c1ccc(C(C)(C)C)cc1.CC(C)N(c1ccccc1)c1ccccc1.CC(C)c1ccc(N(c2ccccc2)C(C)C)cc1.CC(C)c1cccc2c1c1ccccc1n2-c1ccccc1.Cc1ccc(N(c2ccc(C)cc2)C(C)C)cc1.Cc1ccc(N(c2ccc(C)cc2C)C(C)C)c(C)c1.Cc1ccc(N(c2ccccc2)C(C)C)cc1.Cc1cccc(N(c2ccccc2)C(C)C)c1
InChIInChI=1S/C21H19N.2C19H25N.C18H23N.C17H21N.2C16H19N.C15H17N/c1-15(2)17-12-8-14-20-21(17)18-11-6-7-13-19(18)22(20)16-9-4-3-5-10-16;1-13(2)20(18-9-7-14(3)11-16(18)5)19-10-8-15(4)12-17(19)6;1-15(2)20(17-9-7-6-8-10-17)18-13-11-16(12-14-18)19(3,4)5;1-14(2)16-10-12-18(13-11-16)19(15(3)4)17-8-6-5-7-9-17;1-13(2)18(16-9-5-14(3)6-10-16)17-11-7-15(4)8-12-17;1-13(2)17(15-9-5-4-6-10-15)16-11-7-8-14(3)12-16;1-13(2)17(15-7-5-4-6-8-15)16-11-9-14(3)10-12-16;1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-15H,1-2H3;7-13H,1-6H3;6-15H,1-5H3;5-15H,1-4H3;5-13H,1-4H3;2*4-13H,1-3H3;3-13H,1-2H3
InChIKeyHQFOMFCLUXGWJZ-UHFFFAOYSA-N
MW1974.95 g/mol
LogP40.43
Rot. Bonds24

About 4-tert-butyl-N-phenyl-N-propan-2-ylaniline;N-(2,4-dimethylphenyl)-2,4-dimethyl-N-propan-2-ylaniline;4-methyl-N-(4-methylphenyl)-N-propan-2-ylaniline;3-methyl-N-phenyl-N-propan-2-ylaniline;4-methyl-N-phenyl-N-propan-2-ylaniline;N-phenyl-N,4-di(propan-2-yl)aniline;N-phenyl-N-propan-2-ylaniline;9-phenyl-4-propan-2-ylcarbazole

4-tert-butyl-N-phenyl-N-propan-2-ylaniline;N-(2,4-dimethylphenyl)-2,4-dimethyl-N-propan-2-ylaniline;4-methyl-N-(4-methylphenyl)-N-propan-2-ylaniline;3-methyl-N-phenyl-N-propan-2-ylaniline;4-methyl-N-phenyl-N-propan-2-ylaniline;N-phenyl-N,4-di(propan-2-yl)aniline;N-phenyl-N-propan-2-ylaniline;9-phenyl-4-propan-2-ylcarbazole (PubChem CID 158555390) has the molecular formula C141H168N8 and a molecular weight of 1974.95 g/mol. Its IUPAC name is 4-tert-butyl-N-phenyl-N-propan-2-ylaniline;N-(2,4-dimethylphenyl)-2,4-dimethyl-N-propan-2-ylaniline;4-methyl-N-(4-methylphenyl)-N-propan-2-ylaniline;3-methyl-N-phenyl-N-propan-2-ylaniline;4-methyl-N-phenyl-N-propan-2-ylaniline;N-phenyl-N,4-di(propan-2-yl)aniline;N-phenyl-N-propan-2-ylaniline;9-phenyl-4-propan-2-ylcarbazole.

Molecular Properties

Compound Name4-tert-butyl-N-phenyl-N-propan-2-ylaniline;N-(2,4-dimethylphenyl)-2,4-dimethyl-N-propan-2-ylaniline;4-methyl-N-(4-methylphenyl)-N-propan-2-ylaniline;3-methyl-N-phenyl-N-propan-2-ylaniline;4-methyl-N-phenyl-N-propan-2-ylaniline;N-phenyl-N,4-di(propan-2-yl)aniline;N-phenyl-N-propan-2-ylaniline;9-phenyl-4-propan-2-ylcarbazole
PubChem CID158555390
Molecular FormulaC141H168N8
Molecular Weight1974.95 g/mol
Exact Mass1973.34
IUPAC Name4-tert-butyl-N-phenyl-N-propan-2-ylaniline;N-(2,4-dimethylphenyl)-2,4-dimethyl-N-propan-2-ylaniline;4-methyl-N-(4-methylphenyl)-N-propan-2-ylaniline;3-methyl-N-phenyl-N-propan-2-ylaniline;4-methyl-N-phenyl-N-propan-2-ylaniline;N-phenyl-N,4-di(propan-2-yl)aniline;N-phenyl-N-propan-2-ylaniline;9-phenyl-4-propan-2-ylcarbazole
SMILESCC(C)N(c1ccccc1)c1ccc(C(C)(C)C)cc1.CC(C)N(c1ccccc1)c1ccccc1.CC(C)c1ccc(N(c2ccccc2)C(C)C)cc1.CC(C)c1cccc2c1c1ccccc1n2-c1ccccc1.Cc1ccc(N(c2ccc(C)cc2)C(C)C)cc1.Cc1ccc(N(c2ccc(C)cc2C)C(C)C)c(C)c1.Cc1ccc(N(c2ccccc2)C(C)C)cc1.Cc1cccc(N(c2ccccc2)C(C)C)c1
InChIInChI=1S/C21H19N.2C19H25N.C18H23N.C17H21N.2C16H19N.C15H17N/c1-15(2)17-12-8-14-20-21(17)18-11-6-7-13-19(18)22(20)16-9-4-3-5-10-16;1-13(2)20(18-9-7-14(3)11-16(18)5)19-10-8-15(4)12-17(19)6;1-15(2)20(17-9-7-6-8-10-17)18-13-11-16(12-14-18)19(3,4)5;1-14(2)16-10-12-18(13-11-16)19(15(3)4)17-8-6-5-7-9-17;1-13(2)18(16-9-5-14(3)6-10-16)17-11-7-15(4)8-12-17;1-13(2)17(15-9-5-4-6-10-15)16-11-7-8-14(3)12-16;1-13(2)17(15-7-5-4-6-8-15)16-11-9-14(3)10-12-16;1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-15H,1-2H3;7-13H,1-6H3;6-15H,1-5H3;5-15H,1-4H3;5-13H,1-4H3;2*4-13H,1-3H3;3-13H,1-2H3
InChIKeyHQFOMFCLUXGWJZ-UHFFFAOYSA-N
XLogP40.43
TPSA27.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001974.95
LogP ≤ 540.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-tert-butyl-N-phenyl-N-propan-2-ylaniline;N-(2,4-dimethylphenyl)-2,4-dimethyl-N-propan-2-ylaniline;4-methyl-N-(4-methylphenyl)-N-propan-2-ylaniline;3-methyl-N-phenyl-N-propan-2-ylaniline;4-methyl-N-phenyl-N-propan-2-ylaniline;N-phenyl-N,4-di(propan-2-yl)aniline;N-phenyl-N-propan-2-ylaniline;9-phenyl-4-propan-2-ylcarbazole with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine
CID 166947089
9-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole;9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole;9-[4-[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole;9-[4-[4-phenyl-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole
CID 158512699
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-propan-2-ylaniline
CID 134236462
9-(4-tert-butylphenyl)-N-[4-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N-(4-propan-2-ylphenyl)carbazol-3-amine;N-[3-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine;N-[4-(1,2-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine
CID 160823280
6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[2-methyl-4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine
CID 160624932
9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole
CID 170191749
6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-bis(2-methylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,14-N-bis(2,5-dimethylphenyl)-6-N,14-N-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-tert-butylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine;6-N,6-N,14-N,14-N-tetrakis(4-propan-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-6,14-diamine
CID 157465674
9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 157433581
9-(4-tert-butylphenyl)-3,6-bis[9-(4-tert-butylphenyl)carbazol-3-yl]carbazole;9-(4-methylphenyl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole;3-(4-methylphenyl)-6-[6-(4-methylphenyl)-9-[4-(trideuteriomethyl)phenyl]carbazol-3-yl]-9-[4-(trideuteriomethyl)phenyl]carbazole;3-methyl-6-(trideuteriomethyl)-9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole;9-(4-propan-2-ylphenyl)-3,6-bis[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazole;9-[4-(trideuteriomethyl)phenyl]-3,6-bis[9-[4-(trideuteriomethyl)phenyl]carbazol-3-yl]carbazole
CID 159244080
10-N,18-N-bis(4-tert-butylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,18-N-bis(2,5-dimethylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,18-N-bis(2-methylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,18-N-bis(3-methylphenyl)-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,18-N-diphenyl-10-N,18-N-bis(4-propan-2-ylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,10-N,18-N,18-N-tetrakis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine;10-N,10-N,18-N,18-N-tetraphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
CID 165003865
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline
CID 100915201

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-phenyl-N-propan-2-ylaniline;N-(2,4-dimethylphenyl)-2,4-dimethyl-N-propan-2-ylaniline;4-methyl-N-(4-methylphenyl)-N-propan-2-ylaniline;3-methyl-N-phenyl-N-propan-2-ylaniline;4-methyl-N-phenyl-N-propan-2-ylaniline;N-phenyl-N,4-di(propan-2-yl)aniline;N-phenyl-N-propan-2-ylaniline;9-phenyl-4-propan-2-ylcarbazole?
The IUPAC name of 4-tert-butyl-N-phenyl-N-propan-2-ylaniline;N-(2,4-dimethylphenyl)-2,4-dimethyl-N-propan-2-ylaniline;4-methyl-N-(4-methylphenyl)-N-propan-2-ylaniline;3-methyl-N-phenyl-N-propan-2-ylaniline;4-methyl-N-phenyl-N-propan-2-ylaniline;N-phenyl-N,4-di(propan-2-yl)aniline;N-phenyl-N-propan-2-ylaniline;9-phenyl-4-propan-2-ylcarbazole (CID 158555390) is 4-tert-butyl-N-phenyl-N-propan-2-ylaniline;N-(2,4-dimethylphenyl)-2,4-dimethyl-N-propan-2-ylaniline;4-methyl-N-(4-methylphenyl)-N-propan-2-ylaniline;3-methyl-N-phenyl-N-propan-2-ylaniline;4-methyl-N-phenyl-N-propan-2-ylaniline;N-phenyl-N,4-di(propan-2-yl)aniline;N-phenyl-N-propan-2-ylaniline;9-phenyl-4-propan-2-ylcarbazole.
What is the SMILES notation for 4-tert-butyl-N-phenyl-N-propan-2-ylaniline;N-(2,4-dimethylphenyl)-2,4-dimethyl-N-propan-2-ylaniline;4-methyl-N-(4-methylphenyl)-N-propan-2-ylaniline;3-methyl-N-phenyl-N-propan-2-ylaniline;4-methyl-N-phenyl-N-propan-2-ylaniline;N-phenyl-N,4-di(propan-2-yl)aniline;N-phenyl-N-propan-2-ylaniline;9-phenyl-4-propan-2-ylcarbazole?
The canonical SMILES for 4-tert-butyl-N-phenyl-N-propan-2-ylaniline;N-(2,4-dimethylphenyl)-2,4-dimethyl-N-propan-2-ylaniline;4-methyl-N-(4-methylphenyl)-N-propan-2-ylaniline;3-methyl-N-phenyl-N-propan-2-ylaniline;4-methyl-N-phenyl-N-propan-2-ylaniline;N-phenyl-N,4-di(propan-2-yl)aniline;N-phenyl-N-propan-2-ylaniline;9-phenyl-4-propan-2-ylcarbazole is CC(C)N(c1ccccc1)c1ccc(C(C)(C)C)cc1.CC(C)N(c1ccccc1)c1ccccc1.CC(C)c1ccc(N(c2ccccc2)C(C)C)cc1.CC(C)c1cccc2c1c1ccccc1n2-c1ccccc1.Cc1ccc(N(c2ccc(C)cc2)C(C)C)cc1.Cc1ccc(N(c2ccc(C)cc2C)C(C)C)c(C)c1.Cc1ccc(N(c2ccccc2)C(C)C)cc1.Cc1cccc(N(c2ccccc2)C(C)C)c1.
What is the InChIKey of 4-tert-butyl-N-phenyl-N-propan-2-ylaniline;N-(2,4-dimethylphenyl)-2,4-dimethyl-N-propan-2-ylaniline;4-methyl-N-(4-methylphenyl)-N-propan-2-ylaniline;3-methyl-N-phenyl-N-propan-2-ylaniline;4-methyl-N-phenyl-N-propan-2-ylaniline;N-phenyl-N,4-di(propan-2-yl)aniline;N-phenyl-N-propan-2-ylaniline;9-phenyl-4-propan-2-ylcarbazole?
The InChIKey is HQFOMFCLUXGWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N.2C19H25N.C18H23N.C17H21N.2C16H19N.C15H17N/c1-15(2)17-12-8-14-20-21(17)18-11-6-7-13-19(18)22(20)16-9-4-3-5-10-16;1-13(2)20(18-9-7-14(3)11-16(18)5)19-10-8-15(4)12-17(19)6;1-15(2)20(17-9-7-6-8-10-17)18-13-11-16(12-14-18)19(3,4)5;1-14(2)16-10-12-18(13-11-16)19(15(3)4)17-8-6-5-7-9-17;1-13(2)18(16-9-5-14(3)6-10-16)17-11-7-15(4)8-12-17;1-13(2)17(15-9-5-4-6-10-15)16-11-7-8-14(3)12-16;1-13(2)17(15-7-5-4-6-8-15)16-11-9-14(3)10-12-16;1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-15H,1-2H3;7-13H,1-6H3;6-15H,1-5H3;5-15H,1-4H3;5-13H,1-4H3;2*4-13H,1-3H3;3-13H,1-2H3.
What are the key properties of 4-tert-butyl-N-phenyl-N-propan-2-ylaniline;N-(2,4-dimethylphenyl)-2,4-dimethyl-N-propan-2-ylaniline;4-methyl-N-(4-methylphenyl)-N-propan-2-ylaniline;3-methyl-N-phenyl-N-propan-2-ylaniline;4-methyl-N-phenyl-N-propan-2-ylaniline;N-phenyl-N,4-di(propan-2-yl)aniline;N-phenyl-N-propan-2-ylaniline;9-phenyl-4-propan-2-ylcarbazole?
4-tert-butyl-N-phenyl-N-propan-2-ylaniline;N-(2,4-dimethylphenyl)-2,4-dimethyl-N-propan-2-ylaniline;4-methyl-N-(4-methylphenyl)-N-propan-2-ylaniline;3-methyl-N-phenyl-N-propan-2-ylaniline;4-methyl-N-phenyl-N-propan-2-ylaniline;N-phenyl-N,4-di(propan-2-yl)aniline;N-phenyl-N-propan-2-ylaniline;9-phenyl-4-propan-2-ylcarbazole has a molecular weight of 1974.95 g/mol, XLogP of 40.43, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-phenyl-N-propan-2-ylaniline;N-(2,4-dimethylphenyl)-2,4-dimethyl-N-propan-2-ylaniline;4-methyl-N-(4-methylphenyl)-N-propan-2-ylaniline;3-methyl-N-phenyl-N-propan-2-ylaniline;4-methyl-N-phenyl-N-propan-2-ylaniline;N-phenyl-N,4-di(propan-2-yl)aniline;N-phenyl-N-propan-2-ylaniline;9-phenyl-4-propan-2-ylcarbazole is sourced from PubChem (CID 158555390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).