4-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl)-N,N-diphenylaniline;10-[6-(9,9-dimethylacridin-10-yl)-9H-carbazol-3-yl]-9,9-dimethylacridine;4-(9,9-dimethyl-10H-acridin-2-yl)-N,N-diphenylaniline;10-(6-phenoxazin-10-yl-9H-carbazol-3-yl)phenoxazine

C142H121N9O2 — CID 162284918

IUPAC4-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl)-N,N-diphenylaniline;10-[6-(9,9-dimethylacridin-10-yl)-9H-carbazol-3-yl]-9,9-dimethylacridine;4-(9,9-dimethyl-10H-acridin-2-yl)-N,N-diphenylaniline;10-(6-phenoxazin-10-yl-9H-carbazol-3-yl)phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccc3[nH]c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4c3c2)c2ccccc21.CC1(C)c2ccccc2Nc2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21.c1ccc(N(c2ccccc2)c2ccc(C3CCC4CC5CCCCC5C4C3)cc2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2[nH]c3ccc(N4c5ccccc5Oc5ccccc54)cc3c2c1
InChIInChI=1S/C42H35N3.C36H23N3O2.C33H28N2.C31H35N/c1-41(2)31-13-5-9-17-37(31)44(38-18-10-6-14-32(38)41)27-21-23-35-29(25-27)30-26-28(22-24-36(30)43-35)45-39-19-11-7-15-33(39)42(3,4)34-16-8-12-20-40(34)45;1-5-13-33-29(9-1)38(30-10-2-6-14-34(30)40-33)23-17-19-27-25(21-23)26-22-24(18-20-28(26)37-27)39-31-11-3-7-15-35(31)41-36-16-8-4-12-32(36)39;1-33(2)29-15-9-10-16-31(29)34-32-22-19-25(23-30(32)33)24-17-20-28(21-18-24)35(26-11-5-3-6-12-26)27-13-7-4-8-14-27;1-3-10-27(11-4-1)32(28-12-5-2-6-13-28)29-19-17-23(18-20-29)24-15-16-26-21-25-9-7-8-14-30(25)31(26)22-24/h5-26,43H,1-4H3;1-22,37H;3-23,34H,1-2H3;1-6,10-13,17-20,24-26,30-31H,7-9,14-16,21-22H2
InChIKeyBVNIMWYQHHPRJD-UHFFFAOYSA-N
MW1985.59 g/mol
LogP40.08
Rot. Bonds12

About 4-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl)-N,N-diphenylaniline;10-[6-(9,9-dimethylacridin-10-yl)-9H-carbazol-3-yl]-9,9-dimethylacridine;4-(9,9-dimethyl-10H-acridin-2-yl)-N,N-diphenylaniline;10-(6-phenoxazin-10-yl-9H-carbazol-3-yl)phenoxazine

4-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl)-N,N-diphenylaniline;10-[6-(9,9-dimethylacridin-10-yl)-9H-carbazol-3-yl]-9,9-dimethylacridine;4-(9,9-dimethyl-10H-acridin-2-yl)-N,N-diphenylaniline;10-(6-phenoxazin-10-yl-9H-carbazol-3-yl)phenoxazine (PubChem CID 162284918) has the molecular formula C142H121N9O2 and a molecular weight of 1985.59 g/mol. Its IUPAC name is 4-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl)-N,N-diphenylaniline;10-[6-(9,9-dimethylacridin-10-yl)-9H-carbazol-3-yl]-9,9-dimethylacridine;4-(9,9-dimethyl-10H-acridin-2-yl)-N,N-diphenylaniline;10-(6-phenoxazin-10-yl-9H-carbazol-3-yl)phenoxazine.

Molecular Properties

Compound Name4-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl)-N,N-diphenylaniline;10-[6-(9,9-dimethylacridin-10-yl)-9H-carbazol-3-yl]-9,9-dimethylacridine;4-(9,9-dimethyl-10H-acridin-2-yl)-N,N-diphenylaniline;10-(6-phenoxazin-10-yl-9H-carbazol-3-yl)phenoxazine
PubChem CID162284918
Molecular FormulaC142H121N9O2
Molecular Weight1985.59 g/mol
Exact Mass1983.96
IUPAC Name4-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl)-N,N-diphenylaniline;10-[6-(9,9-dimethylacridin-10-yl)-9H-carbazol-3-yl]-9,9-dimethylacridine;4-(9,9-dimethyl-10H-acridin-2-yl)-N,N-diphenylaniline;10-(6-phenoxazin-10-yl-9H-carbazol-3-yl)phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccc3[nH]c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4c3c2)c2ccccc21.CC1(C)c2ccccc2Nc2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21.c1ccc(N(c2ccccc2)c2ccc(C3CCC4CC5CCCCC5C4C3)cc2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2[nH]c3ccc(N4c5ccccc5Oc5ccccc54)cc3c2c1
InChIInChI=1S/C42H35N3.C36H23N3O2.C33H28N2.C31H35N/c1-41(2)31-13-5-9-17-37(31)44(38-18-10-6-14-32(38)41)27-21-23-35-29(25-27)30-26-28(22-24-36(30)43-35)45-39-19-11-7-15-33(39)42(3,4)34-16-8-12-20-40(34)45;1-5-13-33-29(9-1)38(30-10-2-6-14-34(30)40-33)23-17-19-27-25(21-23)26-22-24(18-20-28(26)37-27)39-31-11-3-7-15-35(31)41-36-16-8-4-12-32(36)39;1-33(2)29-15-9-10-16-31(29)34-32-22-19-25(23-30(32)33)24-17-20-28(21-18-24)35(26-11-5-3-6-12-26)27-13-7-4-8-14-27;1-3-10-27(11-4-1)32(28-12-5-2-6-13-28)29-19-17-23(18-20-29)24-15-16-26-21-25-9-7-8-14-30(25)31(26)22-24/h5-26,43H,1-4H3;1-22,37H;3-23,34H,1-2H3;1-6,10-13,17-20,24-26,30-31H,7-9,14-16,21-22H2
InChIKeyBVNIMWYQHHPRJD-UHFFFAOYSA-N
XLogP40.08
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001985.59
LogP ≤ 540.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl)-N,N-diphenylaniline;10-[6-(9,9-dimethylacridin-10-yl)-9H-carbazol-3-yl]-9,9-dimethylacridine;4-(9,9-dimethyl-10H-acridin-2-yl)-N,N-diphenylaniline;10-(6-phenoxazin-10-yl-9H-carbazol-3-yl)phenoxazine with MolForge

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Related Compounds

N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl]aniline
CID 162284894
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
4-[4-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)phenyl]-N,N-diphenylaniline
CID 170656809
N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
3-[3-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 170657015
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]acridine;10-(9,9'-spirobi[fluorene]-2-yl)phenoxazine
CID 159284639
N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
CID 89457849
2-(9,9-dimethyl-10-phenylacridin-3-yl)-10-phenylphenoxazine
CID 146652293
N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline
CID 122425451
N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122425440
4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline
CID 89457920
14,14-dimethyl-N,N-bis(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine
CID 170656714

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl)-N,N-diphenylaniline;10-[6-(9,9-dimethylacridin-10-yl)-9H-carbazol-3-yl]-9,9-dimethylacridine;4-(9,9-dimethyl-10H-acridin-2-yl)-N,N-diphenylaniline;10-(6-phenoxazin-10-yl-9H-carbazol-3-yl)phenoxazine?
The IUPAC name of 4-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl)-N,N-diphenylaniline;10-[6-(9,9-dimethylacridin-10-yl)-9H-carbazol-3-yl]-9,9-dimethylacridine;4-(9,9-dimethyl-10H-acridin-2-yl)-N,N-diphenylaniline;10-(6-phenoxazin-10-yl-9H-carbazol-3-yl)phenoxazine (CID 162284918) is 4-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl)-N,N-diphenylaniline;10-[6-(9,9-dimethylacridin-10-yl)-9H-carbazol-3-yl]-9,9-dimethylacridine;4-(9,9-dimethyl-10H-acridin-2-yl)-N,N-diphenylaniline;10-(6-phenoxazin-10-yl-9H-carbazol-3-yl)phenoxazine.
What is the SMILES notation for 4-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl)-N,N-diphenylaniline;10-[6-(9,9-dimethylacridin-10-yl)-9H-carbazol-3-yl]-9,9-dimethylacridine;4-(9,9-dimethyl-10H-acridin-2-yl)-N,N-diphenylaniline;10-(6-phenoxazin-10-yl-9H-carbazol-3-yl)phenoxazine?
The canonical SMILES for 4-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl)-N,N-diphenylaniline;10-[6-(9,9-dimethylacridin-10-yl)-9H-carbazol-3-yl]-9,9-dimethylacridine;4-(9,9-dimethyl-10H-acridin-2-yl)-N,N-diphenylaniline;10-(6-phenoxazin-10-yl-9H-carbazol-3-yl)phenoxazine is CC1(C)c2ccccc2N(c2ccc3[nH]c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4c3c2)c2ccccc21.CC1(C)c2ccccc2Nc2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21.c1ccc(N(c2ccccc2)c2ccc(C3CCC4CC5CCCCC5C4C3)cc2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc2[nH]c3ccc(N4c5ccccc5Oc5ccccc54)cc3c2c1.
What is the InChIKey of 4-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl)-N,N-diphenylaniline;10-[6-(9,9-dimethylacridin-10-yl)-9H-carbazol-3-yl]-9,9-dimethylacridine;4-(9,9-dimethyl-10H-acridin-2-yl)-N,N-diphenylaniline;10-(6-phenoxazin-10-yl-9H-carbazol-3-yl)phenoxazine?
The InChIKey is BVNIMWYQHHPRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35N3.C36H23N3O2.C33H28N2.C31H35N/c1-41(2)31-13-5-9-17-37(31)44(38-18-10-6-14-32(38)41)27-21-23-35-29(25-27)30-26-28(22-24-36(30)43-35)45-39-19-11-7-15-33(39)42(3,4)34-16-8-12-20-40(34)45;1-5-13-33-29(9-1)38(30-10-2-6-14-34(30)40-33)23-17-19-27-25(21-23)26-22-24(18-20-28(26)37-27)39-31-11-3-7-15-35(31)41-36-16-8-4-12-32(36)39;1-33(2)29-15-9-10-16-31(29)34-32-22-19-25(23-30(32)33)24-17-20-28(21-18-24)35(26-11-5-3-6-12-26)27-13-7-4-8-14-27;1-3-10-27(11-4-1)32(28-12-5-2-6-13-28)29-19-17-23(18-20-29)24-15-16-26-21-25-9-7-8-14-30(25)31(26)22-24/h5-26,43H,1-4H3;1-22,37H;3-23,34H,1-2H3;1-6,10-13,17-20,24-26,30-31H,7-9,14-16,21-22H2.
What are the key properties of 4-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl)-N,N-diphenylaniline;10-[6-(9,9-dimethylacridin-10-yl)-9H-carbazol-3-yl]-9,9-dimethylacridine;4-(9,9-dimethyl-10H-acridin-2-yl)-N,N-diphenylaniline;10-(6-phenoxazin-10-yl-9H-carbazol-3-yl)phenoxazine?
4-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl)-N,N-diphenylaniline;10-[6-(9,9-dimethylacridin-10-yl)-9H-carbazol-3-yl]-9,9-dimethylacridine;4-(9,9-dimethyl-10H-acridin-2-yl)-N,N-diphenylaniline;10-(6-phenoxazin-10-yl-9H-carbazol-3-yl)phenoxazine has a molecular weight of 1985.59 g/mol, XLogP of 40.08, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-3-yl)-N,N-diphenylaniline;10-[6-(9,9-dimethylacridin-10-yl)-9H-carbazol-3-yl]-9,9-dimethylacridine;4-(9,9-dimethyl-10H-acridin-2-yl)-N,N-diphenylaniline;10-(6-phenoxazin-10-yl-9H-carbazol-3-yl)phenoxazine is sourced from PubChem (CID 162284918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).