3-benzo[b]carbazol-5-yl-N-[4-(5H-indeno[1,2-b]pyridin-4-yl)phenyl]-N-phenylaniline

C46H31N3 — CID 170177365

IUPAC3-benzo[b]carbazol-5-yl-N-[4-(5H-indeno[1,2-b]pyridin-4-yl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccnc4c3Cc3ccccc3-4)cc2)c2cccc(-n3c4ccccc4c4cc5ccccc5cc43)c2)cc1
InChIInChI=1S/C46H31N3/c1-2-14-35(15-3-1)48(36-23-21-31(22-24-36)39-25-26-47-46-40-18-7-6-13-34(40)28-43(39)46)37-16-10-17-38(30-37)49-44-20-9-8-19-41(44)42-27-32-11-4-5-12-33(32)29-45(42)49/h1-27,29-30H,28H2
InChIKeyVZXHPFKQQVZHIQ-UHFFFAOYSA-N
MW625.78 g/mol
LogP12.04
Rot. Bonds5

About 3-benzo[b]carbazol-5-yl-N-[4-(5H-indeno[1,2-b]pyridin-4-yl)phenyl]-N-phenylaniline

3-benzo[b]carbazol-5-yl-N-[4-(5H-indeno[1,2-b]pyridin-4-yl)phenyl]-N-phenylaniline (PubChem CID 170177365) has the molecular formula C46H31N3 and a molecular weight of 625.78 g/mol. Its IUPAC name is 3-benzo[b]carbazol-5-yl-N-[4-(5H-indeno[1,2-b]pyridin-4-yl)phenyl]-N-phenylaniline.

Molecular Properties

Compound Name3-benzo[b]carbazol-5-yl-N-[4-(5H-indeno[1,2-b]pyridin-4-yl)phenyl]-N-phenylaniline
PubChem CID170177365
Molecular FormulaC46H31N3
Molecular Weight625.78 g/mol
Exact Mass625.25
IUPAC Name3-benzo[b]carbazol-5-yl-N-[4-(5H-indeno[1,2-b]pyridin-4-yl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccnc4c3Cc3ccccc3-4)cc2)c2cccc(-n3c4ccccc4c4cc5ccccc5cc43)c2)cc1
InChIInChI=1S/C46H31N3/c1-2-14-35(15-3-1)48(36-23-21-31(22-24-36)39-25-26-47-46-40-18-7-6-13-34(40)28-43(39)46)37-16-10-17-38(30-37)49-44-20-9-8-19-41(44)42-27-32-11-4-5-12-33(32)29-45(42)49/h1-27,29-30H,28H2
InChIKeyVZXHPFKQQVZHIQ-UHFFFAOYSA-N
XLogP12.04
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.78
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-benzo[b]carbazol-5-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 171457249
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CID 170177363
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 146578366
3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline
CID 170380197
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790714
3-(4-benzo[b]carbazol-5-ylphenyl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 138467813
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379993
6-benzo[b]carbazol-5-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167038052
N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-8-amine
CID 155034274
N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501687
N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine
CID 175613227
4-phenyl-N-[4-[8-(9-phenylcarbazol-2-yl)-9H-fluoren-1-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 147428000

Frequently Asked Questions

What is the IUPAC name of 3-benzo[b]carbazol-5-yl-N-[4-(5H-indeno[1,2-b]pyridin-4-yl)phenyl]-N-phenylaniline?
The IUPAC name of 3-benzo[b]carbazol-5-yl-N-[4-(5H-indeno[1,2-b]pyridin-4-yl)phenyl]-N-phenylaniline (CID 170177365) is 3-benzo[b]carbazol-5-yl-N-[4-(5H-indeno[1,2-b]pyridin-4-yl)phenyl]-N-phenylaniline.
What is the SMILES notation for 3-benzo[b]carbazol-5-yl-N-[4-(5H-indeno[1,2-b]pyridin-4-yl)phenyl]-N-phenylaniline?
The canonical SMILES for 3-benzo[b]carbazol-5-yl-N-[4-(5H-indeno[1,2-b]pyridin-4-yl)phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3ccnc4c3Cc3ccccc3-4)cc2)c2cccc(-n3c4ccccc4c4cc5ccccc5cc43)c2)cc1.
What is the InChIKey of 3-benzo[b]carbazol-5-yl-N-[4-(5H-indeno[1,2-b]pyridin-4-yl)phenyl]-N-phenylaniline?
The InChIKey is VZXHPFKQQVZHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3/c1-2-14-35(15-3-1)48(36-23-21-31(22-24-36)39-25-26-47-46-40-18-7-6-13-34(40)28-43(39)46)37-16-10-17-38(30-37)49-44-20-9-8-19-41(44)42-27-32-11-4-5-12-33(32)29-45(42)49/h1-27,29-30H,28H2.
What are the key properties of 3-benzo[b]carbazol-5-yl-N-[4-(5H-indeno[1,2-b]pyridin-4-yl)phenyl]-N-phenylaniline?
3-benzo[b]carbazol-5-yl-N-[4-(5H-indeno[1,2-b]pyridin-4-yl)phenyl]-N-phenylaniline has a molecular weight of 625.78 g/mol, XLogP of 12.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzo[b]carbazol-5-yl-N-[4-(5H-indeno[1,2-b]pyridin-4-yl)phenyl]-N-phenylaniline is sourced from PubChem (CID 170177365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).