3-(5-phenylbenzo[b]carbazol-11-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline

C64H44N2 — CID 167194690

IUPAC3-(5-phenylbenzo[b]carbazol-11-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4cccc(-c5c6ccccc6cc6c5c5ccccc5n6-c5ccccc5)c4)cc3)c2)cc1
InChIInChI=1S/C64H44N2/c1-4-17-45(18-5-1)49-22-14-24-51(41-49)47-33-37-56(38-34-47)65(57-39-35-48(36-40-57)52-25-15-23-50(42-52)46-19-6-2-7-20-46)58-29-16-26-54(43-58)63-59-30-11-10-21-53(59)44-62-64(63)60-31-12-13-32-61(60)66(62)55-27-8-3-9-28-55/h1-44H
InChIKeyQBNZANMSZYEGIE-UHFFFAOYSA-N
MW841.07 g/mol
LogP17.74
Rot. Bonds9

About 3-(5-phenylbenzo[b]carbazol-11-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline

3-(5-phenylbenzo[b]carbazol-11-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 167194690) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is 3-(5-phenylbenzo[b]carbazol-11-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-(5-phenylbenzo[b]carbazol-11-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
PubChem CID167194690
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC Name3-(5-phenylbenzo[b]carbazol-11-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4cccc(-c5c6ccccc6cc6c5c5ccccc5n6-c5ccccc5)c4)cc3)c2)cc1
InChIInChI=1S/C64H44N2/c1-4-17-45(18-5-1)49-22-14-24-51(41-49)47-33-37-56(38-34-47)65(57-39-35-48(36-40-57)52-25-15-23-50(42-52)46-19-6-2-7-20-46)58-29-16-26-54(43-58)63-59-30-11-10-21-53(59)44-62-64(63)60-31-12-13-32-61(60)66(62)55-27-8-3-9-28-55/h1-44H
InChIKeyQBNZANMSZYEGIE-UHFFFAOYSA-N
XLogP17.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.07
LogP ≤ 517.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167195423
3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 166659620
N-(4-phenanthren-9-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]naphthalen-1-amine
CID 167195888
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
3-cyclohexa-2,4-dien-1-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]aniline
CID 166659713
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 167038041
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
3-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166660552
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660208
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 167196004
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166660311
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenylbenzo[b]carbazol-11-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-(5-phenylbenzo[b]carbazol-11-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline (CID 167194690) is 3-(5-phenylbenzo[b]carbazol-11-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-(5-phenylbenzo[b]carbazol-11-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-(5-phenylbenzo[b]carbazol-11-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4cccc(-c5c6ccccc6cc6c5c5ccccc5n6-c5ccccc5)c4)cc3)c2)cc1.
What is the InChIKey of 3-(5-phenylbenzo[b]carbazol-11-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is QBNZANMSZYEGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-4-17-45(18-5-1)49-22-14-24-51(41-49)47-33-37-56(38-34-47)65(57-39-35-48(36-40-57)52-25-15-23-50(42-52)46-19-6-2-7-20-46)58-29-16-26-54(43-58)63-59-30-11-10-21-53(59)44-62-64(63)60-31-12-13-32-61(60)66(62)55-27-8-3-9-28-55/h1-44H.
What are the key properties of 3-(5-phenylbenzo[b]carbazol-11-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline?
3-(5-phenylbenzo[b]carbazol-11-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 841.07 g/mol, XLogP of 17.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenylbenzo[b]carbazol-11-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167194690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).