4-[4-[4-[9-(2-bicyclo[3.1.0]hexa-1,3-dienyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline

C48H34N2 — CID 70996882

IUPAC4-[4-[4-[9-(2-bicyclo[3.1.0]hexa-1,3-dienyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline
SMILESC1=CC2CC2=C1n1c2ccccc2c2cc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)ccc21
InChIInChI=1S/C48H34N2/c1-3-9-40(10-4-1)49(41-11-5-2-6-12-41)42-27-23-36(24-28-42)35-17-15-33(16-18-35)34-19-21-37(22-20-34)38-25-29-48-45(31-38)43-13-7-8-14-46(43)50(48)47-30-26-39-32-44(39)47/h1-31,39H,32H2
InChIKeySQXWFXVTNTUEFX-UHFFFAOYSA-N
MW638.81 g/mol
LogP13.07
Rot. Bonds7

About 4-[4-[4-[9-(2-bicyclo[3.1.0]hexa-1,3-dienyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline

4-[4-[4-[9-(2-bicyclo[3.1.0]hexa-1,3-dienyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline (PubChem CID 70996882) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 4-[4-[4-[9-(2-bicyclo[3.1.0]hexa-1,3-dienyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[4-[4-[9-(2-bicyclo[3.1.0]hexa-1,3-dienyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline
PubChem CID70996882
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name4-[4-[4-[9-(2-bicyclo[3.1.0]hexa-1,3-dienyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline
SMILESC1=CC2CC2=C1n1c2ccccc2c2cc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)ccc21
InChIInChI=1S/C48H34N2/c1-3-9-40(10-4-1)49(41-11-5-2-6-12-41)42-27-23-36(24-28-42)35-17-15-33(16-18-35)34-19-21-37(22-20-34)38-25-29-48-45(31-38)43-13-7-8-14-46(43)50(48)47-30-26-39-32-44(39)47/h1-31,39H,32H2
InChIKeySQXWFXVTNTUEFX-UHFFFAOYSA-N
XLogP13.07
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-[4-[9-(2-bicyclo[3.1.0]hexa-1,3-dienyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
N-(4-carbazol-9-ylphenyl)-4-(9-methylcarbazol-3-yl)-N-phenylaniline
CID 59501739
4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 118506873
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 89213030
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[9-(2-bicyclo[3.1.0]hexa-1,3-dienyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[4-[4-[9-(2-bicyclo[3.1.0]hexa-1,3-dienyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline (CID 70996882) is 4-[4-[4-[9-(2-bicyclo[3.1.0]hexa-1,3-dienyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[4-[4-[9-(2-bicyclo[3.1.0]hexa-1,3-dienyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[4-[4-[9-(2-bicyclo[3.1.0]hexa-1,3-dienyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline is C1=CC2CC2=C1n1c2ccccc2c2cc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)ccc21.
What is the InChIKey of 4-[4-[4-[9-(2-bicyclo[3.1.0]hexa-1,3-dienyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline?
The InChIKey is SQXWFXVTNTUEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-3-9-40(10-4-1)49(41-11-5-2-6-12-41)42-27-23-36(24-28-42)35-17-15-33(16-18-35)34-19-21-37(22-20-34)38-25-29-48-45(31-38)43-13-7-8-14-46(43)50(48)47-30-26-39-32-44(39)47/h1-31,39H,32H2.
What are the key properties of 4-[4-[4-[9-(2-bicyclo[3.1.0]hexa-1,3-dienyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline?
4-[4-[4-[9-(2-bicyclo[3.1.0]hexa-1,3-dienyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline has a molecular weight of 638.81 g/mol, XLogP of 13.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[9-(2-bicyclo[3.1.0]hexa-1,3-dienyl)carbazol-3-yl]phenyl]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 70996882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).