4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)aniline;1-phenyl-6H-pyrrolo[3,2-c]carbazole

C76H55BrN6 — CID 158056699

IUPAC4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)aniline;1-phenyl-6H-pyrrolo[3,2-c]carbazole
SMILESBrc1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(-n2ccc3ccc4[nH]c5ccccc5c4c32)cc1.c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4c5c(ccc43)ccn5-c3ccccc3)cc2)cc1
InChIInChI=1S/C38H27N3.C20H14N2.C18H14BrN/c1-4-12-29(13-5-1)39-27-26-28-20-25-36-37(38(28)39)34-18-10-11-19-35(34)41(36)33-23-21-32(22-24-33)40(30-14-6-2-7-15-30)31-16-8-3-9-17-31;1-2-6-15(7-3-1)22-13-12-14-10-11-18-19(20(14)22)16-8-4-5-9-17(16)21-18;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-27H;1-13,21H;1-14H
InChIKeyFKDHYUMXGKEKOX-UHFFFAOYSA-N
MW1132.22 g/mol
LogP21.38
Rot. Bonds9

About 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)aniline;1-phenyl-6H-pyrrolo[3,2-c]carbazole

4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)aniline;1-phenyl-6H-pyrrolo[3,2-c]carbazole (PubChem CID 158056699) has the molecular formula C76H55BrN6 and a molecular weight of 1132.22 g/mol. Its IUPAC name is 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)aniline;1-phenyl-6H-pyrrolo[3,2-c]carbazole.

Molecular Properties

Compound Name4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)aniline;1-phenyl-6H-pyrrolo[3,2-c]carbazole
PubChem CID158056699
Molecular FormulaC76H55BrN6
Molecular Weight1132.22 g/mol
Exact Mass1130.37
IUPAC Name4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)aniline;1-phenyl-6H-pyrrolo[3,2-c]carbazole
SMILESBrc1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(-n2ccc3ccc4[nH]c5ccccc5c4c32)cc1.c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4c5c(ccc43)ccn5-c3ccccc3)cc2)cc1
InChIInChI=1S/C38H27N3.C20H14N2.C18H14BrN/c1-4-12-29(13-5-1)39-27-26-28-20-25-36-37(38(28)39)34-18-10-11-19-35(34)41(36)33-23-21-32(22-24-33)40(30-14-6-2-7-15-30)31-16-8-3-9-17-31;1-2-6-15(7-3-1)22-13-12-14-10-11-18-19(20(14)22)16-8-4-5-9-17(16)21-18;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-27H;1-13,21H;1-14H
InChIKeyFKDHYUMXGKEKOX-UHFFFAOYSA-N
XLogP21.38
TPSA37.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001132.22
LogP ≤ 521.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)aniline;1-phenyl-6H-pyrrolo[3,2-c]carbazole with MolForge

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Related Compounds

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3-[[3-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole
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CID 57326785
3-[[4-[bis(1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
CID 57326786
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)aniline;1-phenyl-6H-pyrrolo[3,2-c]carbazole?
The IUPAC name of 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)aniline;1-phenyl-6H-pyrrolo[3,2-c]carbazole (CID 158056699) is 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)aniline;1-phenyl-6H-pyrrolo[3,2-c]carbazole.
What is the SMILES notation for 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)aniline;1-phenyl-6H-pyrrolo[3,2-c]carbazole?
The canonical SMILES for 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)aniline;1-phenyl-6H-pyrrolo[3,2-c]carbazole is Brc1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc(-n2ccc3ccc4[nH]c5ccccc5c4c32)cc1.c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4c5c(ccc43)ccn5-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)aniline;1-phenyl-6H-pyrrolo[3,2-c]carbazole?
The InChIKey is FKDHYUMXGKEKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3.C20H14N2.C18H14BrN/c1-4-12-29(13-5-1)39-27-26-28-20-25-36-37(38(28)39)34-18-10-11-19-35(34)41(36)33-23-21-32(22-24-33)40(30-14-6-2-7-15-30)31-16-8-3-9-17-31;1-2-6-15(7-3-1)22-13-12-14-10-11-18-19(20(14)22)16-8-4-5-9-17(16)21-18;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-27H;1-13,21H;1-14H.
What are the key properties of 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)aniline;1-phenyl-6H-pyrrolo[3,2-c]carbazole?
4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)aniline;1-phenyl-6H-pyrrolo[3,2-c]carbazole has a molecular weight of 1132.22 g/mol, XLogP of 21.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-diphenylaniline;N,N-diphenyl-4-(1-phenylpyrrolo[3,2-c]carbazol-6-yl)aniline;1-phenyl-6H-pyrrolo[3,2-c]carbazole is sourced from PubChem (CID 158056699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).