N,N-diphenyl-3-(7-phenylbenzo[c]carbazol-11-yl)-5-(9-phenylcarbazol-1-yl)aniline

C58H39N3 — CID 144861485

IUPACN,N-diphenyl-3-(7-phenylbenzo[c]carbazol-11-yl)-5-(9-phenylcarbazol-1-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2cc(-c3cccc4c3c3c5ccccc5ccc3n4-c3ccccc3)cc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C58H39N3/c1-5-20-43(21-6-1)59(44-22-7-2-8-23-44)47-38-41(37-42(39-47)50-31-17-32-52-51-29-15-16-33-53(51)61(58(50)52)46-26-11-4-12-27-46)49-30-18-34-54-57(49)56-48-28-14-13-19-40(48)35-36-55(56)60(54)45-24-9-3-10-25-45/h1-39H
InChIKeyAIMDGURZRVTIDJ-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.84
Rot. Bonds7

About N,N-diphenyl-3-(7-phenylbenzo[c]carbazol-11-yl)-5-(9-phenylcarbazol-1-yl)aniline

N,N-diphenyl-3-(7-phenylbenzo[c]carbazol-11-yl)-5-(9-phenylcarbazol-1-yl)aniline (PubChem CID 144861485) has the molecular formula C58H39N3 and a molecular weight of 777.97 g/mol. Its IUPAC name is N,N-diphenyl-3-(7-phenylbenzo[c]carbazol-11-yl)-5-(9-phenylcarbazol-1-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-3-(7-phenylbenzo[c]carbazol-11-yl)-5-(9-phenylcarbazol-1-yl)aniline
PubChem CID144861485
Molecular FormulaC58H39N3
Molecular Weight777.97 g/mol
Exact Mass777.31
IUPAC NameN,N-diphenyl-3-(7-phenylbenzo[c]carbazol-11-yl)-5-(9-phenylcarbazol-1-yl)aniline
SMILESc1ccc(N(c2ccccc2)c2cc(-c3cccc4c3c3c5ccccc5ccc3n4-c3ccccc3)cc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C58H39N3/c1-5-20-43(21-6-1)59(44-22-7-2-8-23-44)47-38-41(37-42(39-47)50-31-17-32-52-51-29-15-16-33-53(51)61(58(50)52)46-26-11-4-12-27-46)49-30-18-34-54-57(49)56-48-28-14-13-19-40(48)35-36-55(56)60(54)45-24-9-3-10-25-45/h1-39H
InChIKeyAIMDGURZRVTIDJ-UHFFFAOYSA-N
XLogP15.84
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660559
N-[4-(3,5-diphenylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)aniline
CID 166660549
N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 148828998
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 167195951
N-(4-naphthalen-1-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196262
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 166660520
N-[3-carbazol-9-yl-5-(9-phenylcarbazol-1-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 144888414
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790714
N,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 166659643
N,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline
CID 177101209
N-(4-phenanthren-2-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 167196251
3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline
CID 176878077

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-(7-phenylbenzo[c]carbazol-11-yl)-5-(9-phenylcarbazol-1-yl)aniline?
The IUPAC name of N,N-diphenyl-3-(7-phenylbenzo[c]carbazol-11-yl)-5-(9-phenylcarbazol-1-yl)aniline (CID 144861485) is N,N-diphenyl-3-(7-phenylbenzo[c]carbazol-11-yl)-5-(9-phenylcarbazol-1-yl)aniline.
What is the SMILES notation for N,N-diphenyl-3-(7-phenylbenzo[c]carbazol-11-yl)-5-(9-phenylcarbazol-1-yl)aniline?
The canonical SMILES for N,N-diphenyl-3-(7-phenylbenzo[c]carbazol-11-yl)-5-(9-phenylcarbazol-1-yl)aniline is c1ccc(N(c2ccccc2)c2cc(-c3cccc4c3c3c5ccccc5ccc3n4-c3ccccc3)cc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1.
What is the InChIKey of N,N-diphenyl-3-(7-phenylbenzo[c]carbazol-11-yl)-5-(9-phenylcarbazol-1-yl)aniline?
The InChIKey is AIMDGURZRVTIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3/c1-5-20-43(21-6-1)59(44-22-7-2-8-23-44)47-38-41(37-42(39-47)50-31-17-32-52-51-29-15-16-33-53(51)61(58(50)52)46-26-11-4-12-27-46)49-30-18-34-54-57(49)56-48-28-14-13-19-40(48)35-36-55(56)60(54)45-24-9-3-10-25-45/h1-39H.
What are the key properties of N,N-diphenyl-3-(7-phenylbenzo[c]carbazol-11-yl)-5-(9-phenylcarbazol-1-yl)aniline?
N,N-diphenyl-3-(7-phenylbenzo[c]carbazol-11-yl)-5-(9-phenylcarbazol-1-yl)aniline has a molecular weight of 777.97 g/mol, XLogP of 15.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3-(7-phenylbenzo[c]carbazol-11-yl)-5-(9-phenylcarbazol-1-yl)aniline is sourced from PubChem (CID 144861485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).