N,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline

C46H32N2 — CID 134552415

IUPACN,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4c5ccccc5cc5c6ccccc6n(-c6ccccc6)c45)cc3)cc2)cc1
InChIInChI=1S/C46H32N2/c1-4-14-33(15-5-1)34-24-28-39(29-25-34)47(37-17-6-2-7-18-37)40-30-26-35(27-31-40)45-41-21-11-10-16-36(41)32-43-42-22-12-13-23-44(42)48(46(43)45)38-19-8-3-9-20-38/h1-32H
InChIKeyBLSCSBCWXVVPJV-UHFFFAOYSA-N
MW612.78 g/mol
LogP12.74
Rot. Bonds6

About N,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline

N,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline (PubChem CID 134552415) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline
PubChem CID134552415
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC NameN,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4c5ccccc5cc5c6ccccc6n(-c6ccccc6)c45)cc3)cc2)cc1
InChIInChI=1S/C46H32N2/c1-4-14-33(15-5-1)34-24-28-39(29-25-34)47(37-17-6-2-7-18-37)40-30-26-35(27-31-40)45-41-21-11-10-16-36(41)32-43-42-22-12-13-23-44(42)48(46(43)45)38-19-8-3-9-20-38/h1-32H
InChIKeyBLSCSBCWXVVPJV-UHFFFAOYSA-N
XLogP12.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline
CID 134552398
N,N-diphenyl-4-(6-phenylbenzo[b]carbazol-5-yl)aniline
CID 134552399
9,9-dimethyl-N-phenyl-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]fluoren-2-amine
CID 134552429
6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole
CID 134552559
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167195423
N,10-diphenyl-N-(4-phenylphenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine
CID 158437493
1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 157300261
6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 134552769
3-(5-phenylbenzo[b]carbazol-11-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 167194690
N-(4-naphthalen-2-ylphenyl)-N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 155034335
N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine
CID 166847645

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline (CID 134552415) is N,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4c5ccccc5cc5c6ccccc6n(-c6ccccc6)c45)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline?
The InChIKey is BLSCSBCWXVVPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-4-14-33(15-5-1)34-24-28-39(29-25-34)47(37-17-6-2-7-18-37)40-30-26-35(27-31-40)45-41-21-11-10-16-36(41)32-43-42-22-12-13-23-44(42)48(46(43)45)38-19-8-3-9-20-38/h1-32H.
What are the key properties of N,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline?
N,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline has a molecular weight of 612.78 g/mol, XLogP of 12.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline is sourced from PubChem (CID 134552415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).