3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine

C75H58N6 — CID 160890732

IUPAC3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine
SMILESCN(c1ccccc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.Cn1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.Cn1c2ccccc2c2cc(N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C25H18N2.2C25H20N2/c1-26-22-11-5-2-10-20(22)21-16-17(14-15-23(21)26)27-24-12-6-3-8-18(24)19-9-4-7-13-25(19)27;1-26-24-15-9-8-14-22(24)23-18-21(16-17-25(23)26)27(19-10-4-2-5-11-19)20-12-6-3-7-13-20;1-26(19-9-3-2-4-10-19)20-15-17-21(18-16-20)27-24-13-7-5-11-22(24)23-12-6-8-14-25(23)27/h2-16H,1H3;2*2-18H,1H3
InChIKeySOFSODASGOPHBM-UHFFFAOYSA-N
MW1043.33 g/mol
LogP19.78
Rot. Bonds7

About 3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine

3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine (PubChem CID 160890732) has the molecular formula C75H58N6 and a molecular weight of 1043.33 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine
PubChem CID160890732
Molecular FormulaC75H58N6
Molecular Weight1043.33 g/mol
Exact Mass1042.47
IUPAC Name3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine
SMILESCN(c1ccccc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.Cn1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.Cn1c2ccccc2c2cc(N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C25H18N2.2C25H20N2/c1-26-22-11-5-2-10-20(22)21-16-17(14-15-23(21)26)27-24-12-6-3-8-18(24)19-9-4-7-13-25(19)27;1-26-24-15-9-8-14-22(24)23-18-21(16-17-25(23)26)27(19-10-4-2-5-11-19)20-12-6-3-7-13-20;1-26(19-9-3-2-4-10-19)20-15-17-21(18-16-20)27-24-13-7-5-11-22(24)23-12-6-8-14-25(23)27/h2-16H,1H3;2*2-18H,1H3
InChIKeySOFSODASGOPHBM-UHFFFAOYSA-N
XLogP19.78
TPSA26.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.33
LogP ≤ 519.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-(4-carbazol-9-ylphenyl)-4-(9-methylcarbazol-3-yl)-N-phenylaniline
CID 59501739
3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)-N-methylaniline;7-carbazol-9-yl-9-methyl-N,N-diphenylcarbazol-2-amine;1-N-(3-carbazol-9-ylphenyl)-1-N-methyl-3-N,3-N-diphenylbenzene-1,3-diamine;2,7-di(carbazol-9-yl)-9-methylcarbazole;9-methyl-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine
CID 159147766
6-(7-carbazol-9-yl-9-methylcarbazol-3-yl)-9-methyl-N,N-diphenylcarbazol-2-amine
CID 147602808
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
4-(5-methylindolo[3,2-b]carbazol-11-yl)-N,N-bis[4-(5-methylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 138662214
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;4-(6-carbazol-9-yl-9-triphenylen-2-ylcarbazol-3-yl)-N,N-diphenylaniline;4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;N,N-diphenyl-4-[6-(3-phenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]aniline;6-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9-triphenylen-2-ylcarbazol-3-amine
CID 169430011
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine?
The IUPAC name of 3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine (CID 160890732) is 3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for 3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for 3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine is CN(c1ccccc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.Cn1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.Cn1c2ccccc2c2cc(N(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of 3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine?
The InChIKey is SOFSODASGOPHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2.2C25H20N2/c1-26-22-11-5-2-10-20(22)21-16-17(14-15-23(21)26)27-24-12-6-3-8-18(24)19-9-4-7-13-25(19)27;1-26-24-15-9-8-14-22(24)23-18-21(16-17-25(23)26)27(19-10-4-2-5-11-19)20-12-6-3-7-13-20;1-26(19-9-3-2-4-10-19)20-15-17-21(18-16-20)27-24-13-7-5-11-22(24)23-12-6-8-14-25(23)27/h2-16H,1H3;2*2-18H,1H3.
What are the key properties of 3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine?
3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine has a molecular weight of 1043.33 g/mol, XLogP of 19.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 160890732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).