4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline

C36H26N2 — CID 90069493

IUPAC4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline
SMILESNc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C36H26N2/c37-34-19-16-28(22-31(34)26-12-6-2-7-13-26)29-18-21-36-33(24-29)32-23-27(25-10-4-1-5-11-25)17-20-35(32)38(36)30-14-8-3-9-15-30/h1-24H,37H2
InChIKeySVNXIEGUWWJYFX-UHFFFAOYSA-N
MW486.62 g/mol
LogP9.37
Rot. Bonds4

About 4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline

4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline (PubChem CID 90069493) has the molecular formula C36H26N2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline.

Molecular Properties

Compound Name4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline
PubChem CID90069493
Molecular FormulaC36H26N2
Molecular Weight486.62 g/mol
Exact Mass486.21
IUPAC Name4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline
SMILESNc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C36H26N2/c37-34-19-16-28(22-31(34)26-12-6-2-7-13-26)29-18-21-36-33(24-29)32-23-27(25-10-4-1-5-11-25)17-20-35(32)38(36)30-14-8-3-9-15-30/h1-24H,37H2
InChIKeySVNXIEGUWWJYFX-UHFFFAOYSA-N
XLogP9.37
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 59.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 90069500
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine
CID 174796506
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
3-[14,23-bis(6,9-diphenylcarbazol-3-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-6,9-diphenylcarbazole
CID 126608481
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 121262585
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216

Frequently Asked Questions

What is the IUPAC name of 4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline?
The IUPAC name of 4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline (CID 90069493) is 4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline.
What is the SMILES notation for 4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline?
The canonical SMILES for 4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline is Nc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline?
The InChIKey is SVNXIEGUWWJYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2/c37-34-19-16-28(22-31(34)26-12-6-2-7-13-26)29-18-21-36-33(24-29)32-23-27(25-10-4-1-5-11-25)17-20-35(32)38(36)30-14-8-3-9-15-30/h1-24H,37H2.
What are the key properties of 4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline?
4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline has a molecular weight of 486.62 g/mol, XLogP of 9.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline is sourced from PubChem (CID 90069493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).