(4-bromophenyl)-diphenylphosphane;diphenyl-[4-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phosphane;3-phenyl-10H-pyrrolo[3,2-a]carbazole

C76H55BrN4P2 — CID 158684139

IUPAC(4-bromophenyl)-diphenylphosphane;diphenyl-[4-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phosphane;3-phenyl-10H-pyrrolo[3,2-a]carbazole
SMILESBrc1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4ccc(P(c5ccccc5)c5ccccc5)cc4)c23)cc1.c1ccc(-n2ccc3c4[nH]c5ccccc5c4ccc32)cc1
InChIInChI=1S/C38H27N2P.C20H14N2.C18H14BrP/c1-4-12-28(13-5-1)39-27-26-35-36(39)25-24-34-33-18-10-11-19-37(33)40(38(34)35)29-20-22-32(23-21-29)41(30-14-6-2-7-15-30)31-16-8-3-9-17-31;1-2-6-14(7-3-1)22-13-12-17-19(22)11-10-16-15-8-4-5-9-18(15)21-20(16)17;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
InChIKeyIFNBEEMUQPVIDZ-UHFFFAOYSA-N
MW1166.16 g/mol
LogP17.96
Rot. Bonds9

About (4-bromophenyl)-diphenylphosphane;diphenyl-[4-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phosphane;3-phenyl-10H-pyrrolo[3,2-a]carbazole

(4-bromophenyl)-diphenylphosphane;diphenyl-[4-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phosphane;3-phenyl-10H-pyrrolo[3,2-a]carbazole (PubChem CID 158684139) has the molecular formula C76H55BrN4P2 and a molecular weight of 1166.16 g/mol. Its IUPAC name is (4-bromophenyl)-diphenylphosphane;diphenyl-[4-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phosphane;3-phenyl-10H-pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name(4-bromophenyl)-diphenylphosphane;diphenyl-[4-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phosphane;3-phenyl-10H-pyrrolo[3,2-a]carbazole
PubChem CID158684139
Molecular FormulaC76H55BrN4P2
Molecular Weight1166.16 g/mol
Exact Mass1164.31
IUPAC Name(4-bromophenyl)-diphenylphosphane;diphenyl-[4-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phosphane;3-phenyl-10H-pyrrolo[3,2-a]carbazole
SMILESBrc1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4ccc(P(c5ccccc5)c5ccccc5)cc4)c23)cc1.c1ccc(-n2ccc3c4[nH]c5ccccc5c4ccc32)cc1
InChIInChI=1S/C38H27N2P.C20H14N2.C18H14BrP/c1-4-12-28(13-5-1)39-27-26-35-36(39)25-24-34-33-18-10-11-19-37(33)40(38(34)35)29-20-22-32(23-21-29)41(30-14-6-2-7-15-30)31-16-8-3-9-17-31;1-2-6-14(7-3-1)22-13-12-17-19(22)11-10-16-15-8-4-5-9-18(15)21-20(16)17;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
InChIKeyIFNBEEMUQPVIDZ-UHFFFAOYSA-N
XLogP17.96
TPSA30.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001166.16
LogP ≤ 517.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-[[5-[bis(5-bromo-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
CID 127036138
3-[[3-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 57326685
3-[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
CID 57326785
3-[[4-[bis(1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
CID 57326786
3-[[6-[bis(5-bromo-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
CID 127035943
5,15-Bis(4-bromophenyl)-10,20-bis(4-pyridin-4-ylphenyl)-21,23-dihydroporphyrin
CID 137645246
6-(1H-Indol-3-yl)-5,7-dihydroindolo[2,3-b]carbazole
CID 15364256
6,12-bis(1H-indol-3-yl)-6,12-dimethyl-5,7-dihydroindolo[2,3-b]carbazole
CID 139229709
12-Phenyl-5-[2-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)pyridin-2-yl]-4-(trifluoromethyl)phenyl]indolo[3,2-c]carbazole
CID 156282749
7-Phenyl-5-[2-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)pyridin-2-yl]-4-(trifluoromethyl)phenyl]indolo[2,3-b]carbazole
CID 156282751
4-bromo-1-(1-fluorocarbazol-9-yl)-5-phenyl-12H-indolo[3,2-c]carbazole
CID 172102479
5,7-N-diallyl-6-(1'-allyl-3-indolyl)-indolo[2,3-b]carbazole
CID 12023411

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-diphenylphosphane;diphenyl-[4-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phosphane;3-phenyl-10H-pyrrolo[3,2-a]carbazole?
The IUPAC name of (4-bromophenyl)-diphenylphosphane;diphenyl-[4-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phosphane;3-phenyl-10H-pyrrolo[3,2-a]carbazole (CID 158684139) is (4-bromophenyl)-diphenylphosphane;diphenyl-[4-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phosphane;3-phenyl-10H-pyrrolo[3,2-a]carbazole.
What is the SMILES notation for (4-bromophenyl)-diphenylphosphane;diphenyl-[4-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phosphane;3-phenyl-10H-pyrrolo[3,2-a]carbazole?
The canonical SMILES for (4-bromophenyl)-diphenylphosphane;diphenyl-[4-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phosphane;3-phenyl-10H-pyrrolo[3,2-a]carbazole is Brc1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4ccc(P(c5ccccc5)c5ccccc5)cc4)c23)cc1.c1ccc(-n2ccc3c4[nH]c5ccccc5c4ccc32)cc1.
What is the InChIKey of (4-bromophenyl)-diphenylphosphane;diphenyl-[4-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phosphane;3-phenyl-10H-pyrrolo[3,2-a]carbazole?
The InChIKey is IFNBEEMUQPVIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N2P.C20H14N2.C18H14BrP/c1-4-12-28(13-5-1)39-27-26-35-36(39)25-24-34-33-18-10-11-19-37(33)40(38(34)35)29-20-22-32(23-21-29)41(30-14-6-2-7-15-30)31-16-8-3-9-17-31;1-2-6-14(7-3-1)22-13-12-17-19(22)11-10-16-15-8-4-5-9-18(15)21-20(16)17;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-bromophenyl)-diphenylphosphane;diphenyl-[4-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phosphane;3-phenyl-10H-pyrrolo[3,2-a]carbazole?
(4-bromophenyl)-diphenylphosphane;diphenyl-[4-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phosphane;3-phenyl-10H-pyrrolo[3,2-a]carbazole has a molecular weight of 1166.16 g/mol, XLogP of 17.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-diphenylphosphane;diphenyl-[4-(3-phenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]phosphane;3-phenyl-10H-pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 158684139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).