2-(4-carbazol-9-ylphenyl)-1-N-(2-methylphenyl)-1-N,4-N,4-N-triphenylbenzene-1,4-diamine

C49H37N3 — CID 145060262

IUPAC2-(4-carbazol-9-ylphenyl)-1-N-(2-methylphenyl)-1-N,4-N,4-N-triphenylbenzene-1,4-diamine
SMILESCc1ccccc1N(c1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C49H37N3/c1-36-17-11-14-26-46(36)51(40-22-9-4-10-23-40)49-34-33-42(50(38-18-5-2-6-19-38)39-20-7-3-8-21-39)35-45(49)37-29-31-41(32-30-37)52-47-27-15-12-24-43(47)44-25-13-16-28-48(44)52/h2-35H,1H3
InChIKeyRCGATDZEZIQULS-UHFFFAOYSA-N
MW667.86 g/mol
LogP13.70
Rot. Bonds8

About 2-(4-carbazol-9-ylphenyl)-1-N-(2-methylphenyl)-1-N,4-N,4-N-triphenylbenzene-1,4-diamine

2-(4-carbazol-9-ylphenyl)-1-N-(2-methylphenyl)-1-N,4-N,4-N-triphenylbenzene-1,4-diamine (PubChem CID 145060262) has the molecular formula C49H37N3 and a molecular weight of 667.86 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-1-N-(2-methylphenyl)-1-N,4-N,4-N-triphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-1-N-(2-methylphenyl)-1-N,4-N,4-N-triphenylbenzene-1,4-diamine
PubChem CID145060262
Molecular FormulaC49H37N3
Molecular Weight667.86 g/mol
Exact Mass667.30
IUPAC Name2-(4-carbazol-9-ylphenyl)-1-N-(2-methylphenyl)-1-N,4-N,4-N-triphenylbenzene-1,4-diamine
SMILESCc1ccccc1N(c1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C49H37N3/c1-36-17-11-14-26-46(36)51(40-22-9-4-10-23-40)49-34-33-42(50(38-18-5-2-6-19-38)39-20-7-3-8-21-39)35-45(49)37-29-31-41(32-30-37)52-47-27-15-12-24-43(47)44-25-13-16-28-48(44)52/h2-35H,1H3
InChIKeyRCGATDZEZIQULS-UHFFFAOYSA-N
XLogP13.70
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.86
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]phenyl]-2-methyl-N-phenylaniline
CID 143088757
N-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]phenyl]-2-methyl-N-phenylaniline;ethane
CID 143088756
9-[4-[2,5-dimethyl-4-[4-[4-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-4-amine
CID 172537492
N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline
CID 176611462
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158204517
4-(4-carbazol-9-ylphenyl)-N-(2-methylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzofuran-1-amine
CID 176609442
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
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,N,2-triphenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 142704370
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-1-N-(2-methylphenyl)-1-N,4-N,4-N-triphenylbenzene-1,4-diamine?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-1-N-(2-methylphenyl)-1-N,4-N,4-N-triphenylbenzene-1,4-diamine (CID 145060262) is 2-(4-carbazol-9-ylphenyl)-1-N-(2-methylphenyl)-1-N,4-N,4-N-triphenylbenzene-1,4-diamine.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-1-N-(2-methylphenyl)-1-N,4-N,4-N-triphenylbenzene-1,4-diamine?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-1-N-(2-methylphenyl)-1-N,4-N,4-N-triphenylbenzene-1,4-diamine is Cc1ccccc1N(c1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-1-N-(2-methylphenyl)-1-N,4-N,4-N-triphenylbenzene-1,4-diamine?
The InChIKey is RCGATDZEZIQULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N3/c1-36-17-11-14-26-46(36)51(40-22-9-4-10-23-40)49-34-33-42(50(38-18-5-2-6-19-38)39-20-7-3-8-21-39)35-45(49)37-29-31-41(32-30-37)52-47-27-15-12-24-43(47)44-25-13-16-28-48(44)52/h2-35H,1H3.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-1-N-(2-methylphenyl)-1-N,4-N,4-N-triphenylbenzene-1,4-diamine?
2-(4-carbazol-9-ylphenyl)-1-N-(2-methylphenyl)-1-N,4-N,4-N-triphenylbenzene-1,4-diamine has a molecular weight of 667.86 g/mol, XLogP of 13.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylphenyl)-1-N-(2-methylphenyl)-1-N,4-N,4-N-triphenylbenzene-1,4-diamine is sourced from PubChem (CID 145060262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).