4-[2-[4-(4-carbazol-9-ylanilino)phenyl]-1,2-diphenylethenyl]-N-(4-carbazol-9-ylphenyl)aniline

C62H44N4 — CID 66688569

IUPAC4-[2-[4-(4-carbazol-9-ylanilino)phenyl]-1,2-diphenylethenyl]-N-(4-carbazol-9-ylphenyl)aniline
SMILESc1ccc(C(=C(c2ccccc2)c2ccc(Nc3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(Nc3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C62H44N4/c1-3-15-43(16-4-1)61(45-27-31-47(32-28-45)63-49-35-39-51(40-36-49)65-57-23-11-7-19-53(57)54-20-8-12-24-58(54)65)62(44-17-5-2-6-18-44)46-29-33-48(34-30-46)64-50-37-41-52(42-38-50)66-59-25-13-9-21-55(59)56-22-10-14-26-60(56)66/h1-42,63-64H
InChIKeyNBFRFMVYTWDFAH-UHFFFAOYSA-N
MW845.06 g/mol
LogP16.38
Rot. Bonds10

About 4-[2-[4-(4-carbazol-9-ylanilino)phenyl]-1,2-diphenylethenyl]-N-(4-carbazol-9-ylphenyl)aniline

4-[2-[4-(4-carbazol-9-ylanilino)phenyl]-1,2-diphenylethenyl]-N-(4-carbazol-9-ylphenyl)aniline (PubChem CID 66688569) has the molecular formula C62H44N4 and a molecular weight of 845.06 g/mol. Its IUPAC name is 4-[2-[4-(4-carbazol-9-ylanilino)phenyl]-1,2-diphenylethenyl]-N-(4-carbazol-9-ylphenyl)aniline.

Molecular Properties

Compound Name4-[2-[4-(4-carbazol-9-ylanilino)phenyl]-1,2-diphenylethenyl]-N-(4-carbazol-9-ylphenyl)aniline
PubChem CID66688569
Molecular FormulaC62H44N4
Molecular Weight845.06 g/mol
Exact Mass844.36
IUPAC Name4-[2-[4-(4-carbazol-9-ylanilino)phenyl]-1,2-diphenylethenyl]-N-(4-carbazol-9-ylphenyl)aniline
SMILESc1ccc(C(=C(c2ccccc2)c2ccc(Nc3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(Nc3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C62H44N4/c1-3-15-43(16-4-1)61(45-27-31-47(32-28-45)63-49-35-39-51(40-36-49)65-57-23-11-7-19-53(57)54-20-8-12-24-58(54)65)62(44-17-5-2-6-18-44)46-29-33-48(34-30-46)64-50-37-41-52(42-38-50)66-59-25-13-9-21-55(59)56-22-10-14-26-60(56)66/h1-42,63-64H
InChIKeyNBFRFMVYTWDFAH-UHFFFAOYSA-N
XLogP16.38
TPSA33.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.06
LogP ≤ 516.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 134380568
4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline
CID 172632708
4-[(Z)-2-(4-carbazol-9-ylphenyl)-2-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]ethenyl]-N-phenylaniline
CID 121256430
9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253
9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 142745530
9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole
CID 140924005
N-(4-carbazol-9-ylphenyl)-4-(8-phenylnaphthalen-1-yl)aniline
CID 169285498
CID 158591993
CID 158591993
9-(4-bromophenyl)carbazole;N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)aniline;4-(4-phenylphenyl)aniline
CID 158400459
N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;9-phenyl-N-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-amine
CID 159366258
N-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine
CID 126621948
3-bromo-9-phenylcarbazole;N,9-diphenylcarbazol-3-amine
CID 161460507

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-carbazol-9-ylanilino)phenyl]-1,2-diphenylethenyl]-N-(4-carbazol-9-ylphenyl)aniline?
The IUPAC name of 4-[2-[4-(4-carbazol-9-ylanilino)phenyl]-1,2-diphenylethenyl]-N-(4-carbazol-9-ylphenyl)aniline (CID 66688569) is 4-[2-[4-(4-carbazol-9-ylanilino)phenyl]-1,2-diphenylethenyl]-N-(4-carbazol-9-ylphenyl)aniline.
What is the SMILES notation for 4-[2-[4-(4-carbazol-9-ylanilino)phenyl]-1,2-diphenylethenyl]-N-(4-carbazol-9-ylphenyl)aniline?
The canonical SMILES for 4-[2-[4-(4-carbazol-9-ylanilino)phenyl]-1,2-diphenylethenyl]-N-(4-carbazol-9-ylphenyl)aniline is c1ccc(C(=C(c2ccccc2)c2ccc(Nc3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(Nc3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of 4-[2-[4-(4-carbazol-9-ylanilino)phenyl]-1,2-diphenylethenyl]-N-(4-carbazol-9-ylphenyl)aniline?
The InChIKey is NBFRFMVYTWDFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N4/c1-3-15-43(16-4-1)61(45-27-31-47(32-28-45)63-49-35-39-51(40-36-49)65-57-23-11-7-19-53(57)54-20-8-12-24-58(54)65)62(44-17-5-2-6-18-44)46-29-33-48(34-30-46)64-50-37-41-52(42-38-50)66-59-25-13-9-21-55(59)56-22-10-14-26-60(56)66/h1-42,63-64H.
What are the key properties of 4-[2-[4-(4-carbazol-9-ylanilino)phenyl]-1,2-diphenylethenyl]-N-(4-carbazol-9-ylphenyl)aniline?
4-[2-[4-(4-carbazol-9-ylanilino)phenyl]-1,2-diphenylethenyl]-N-(4-carbazol-9-ylphenyl)aniline has a molecular weight of 845.06 g/mol, XLogP of 16.38, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-carbazol-9-ylanilino)phenyl]-1,2-diphenylethenyl]-N-(4-carbazol-9-ylphenyl)aniline is sourced from PubChem (CID 66688569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).