5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline

C48H33N3 — CID 163631547

IUPAC5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(Nc3cc(-n4c5ccccc5c5ccccc54)ccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H33N3/c1-3-13-33(14-4-1)34-23-26-36(27-24-34)49-44-32-38(51-45-20-10-7-17-40(45)41-18-8-11-21-46(41)51)28-29-39(44)35-25-30-48-43(31-35)42-19-9-12-22-47(42)50(48)37-15-5-2-6-16-37/h1-32,49H
InChIKeyHWNARMBEDMAQMS-UHFFFAOYSA-N
MW651.81 g/mol
LogP12.96
Rot. Bonds6

About 5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline

5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline (PubChem CID 163631547) has the molecular formula C48H33N3 and a molecular weight of 651.81 g/mol. Its IUPAC name is 5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
PubChem CID163631547
Molecular FormulaC48H33N3
Molecular Weight651.81 g/mol
Exact Mass651.27
IUPAC Name5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(Nc3cc(-n4c5ccccc5c5ccccc54)ccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C48H33N3/c1-3-13-33(14-4-1)34-23-26-36(27-24-34)49-44-32-38(51-45-20-10-7-17-40(45)41-18-8-11-21-46(41)51)28-29-39(44)35-25-30-48-43(31-35)42-19-9-12-22-47(42)50(48)37-15-5-2-6-16-37/h1-32,49H
InChIKeyHWNARMBEDMAQMS-UHFFFAOYSA-N
XLogP12.96
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 512.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-diphenyl-4,6-bis(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 161099965
N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 118907859
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320
N-phenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59828022
9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
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

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline (CID 163631547) is 5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(Nc3cc(-n4c5ccccc5c5ccccc54)ccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is HWNARMBEDMAQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3/c1-3-13-33(14-4-1)34-23-26-36(27-24-34)49-44-32-38(51-45-20-10-7-17-40(45)41-18-8-11-21-46(41)51)28-29-39(44)35-25-30-48-43(31-35)42-19-9-12-22-47(42)50(48)37-15-5-2-6-16-37/h1-32,49H.
What are the key properties of 5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline?
5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 651.81 g/mol, XLogP of 12.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 163631547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).