9-(4-bromophenyl)carbazole;methane;3-phenyl-2-(4-phenylphenyl)-1H-indole;9-[4-[3-phenyl-2-(4-phenylphenyl)indol-1-yl]phenyl]carbazole

C89H65BrN4 — CID 159156662

IUPAC9-(4-bromophenyl)carbazole;methane;3-phenyl-2-(4-phenylphenyl)-1H-indole;9-[4-[3-phenyl-2-(4-phenylphenyl)indol-1-yl]phenyl]carbazole
SMILESBrc1ccc(-n2c3ccccc3c3ccccc32)cc1.C.c1ccc(-c2ccc(-c3[nH]c4ccccc4c3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-c3c(-c4ccccc4)c4ccccc4n3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C44H30N2.C26H19N.C18H12BrN.CH4/c1-3-13-31(14-4-1)32-23-25-34(26-24-32)44-43(33-15-5-2-6-16-33)39-19-9-12-22-42(39)46(44)36-29-27-35(28-30-36)45-40-20-10-7-17-37(40)38-18-8-11-21-41(38)45;1-3-9-19(10-4-1)20-15-17-22(18-16-20)26-25(21-11-5-2-6-12-21)23-13-7-8-14-24(23)27-26;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;/h1-30H;1-18,27H;1-12H;1H4
InChIKeyKJZAYSKWDMYKCO-UHFFFAOYSA-N
MW1270.43 g/mol
LogP25.08
Rot. Bonds9

About 9-(4-bromophenyl)carbazole;methane;3-phenyl-2-(4-phenylphenyl)-1H-indole;9-[4-[3-phenyl-2-(4-phenylphenyl)indol-1-yl]phenyl]carbazole

9-(4-bromophenyl)carbazole;methane;3-phenyl-2-(4-phenylphenyl)-1H-indole;9-[4-[3-phenyl-2-(4-phenylphenyl)indol-1-yl]phenyl]carbazole (PubChem CID 159156662) has the molecular formula C89H65BrN4 and a molecular weight of 1270.43 g/mol. Its IUPAC name is 9-(4-bromophenyl)carbazole;methane;3-phenyl-2-(4-phenylphenyl)-1H-indole;9-[4-[3-phenyl-2-(4-phenylphenyl)indol-1-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-(4-bromophenyl)carbazole;methane;3-phenyl-2-(4-phenylphenyl)-1H-indole;9-[4-[3-phenyl-2-(4-phenylphenyl)indol-1-yl]phenyl]carbazole
PubChem CID159156662
Molecular FormulaC89H65BrN4
Molecular Weight1270.43 g/mol
Exact Mass1268.44
IUPAC Name9-(4-bromophenyl)carbazole;methane;3-phenyl-2-(4-phenylphenyl)-1H-indole;9-[4-[3-phenyl-2-(4-phenylphenyl)indol-1-yl]phenyl]carbazole
SMILESBrc1ccc(-n2c3ccccc3c3ccccc32)cc1.C.c1ccc(-c2ccc(-c3[nH]c4ccccc4c3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-c3c(-c4ccccc4)c4ccccc4n3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C44H30N2.C26H19N.C18H12BrN.CH4/c1-3-13-31(14-4-1)32-23-25-34(26-24-32)44-43(33-15-5-2-6-16-33)39-19-9-12-22-42(39)46(44)36-29-27-35(28-30-36)45-40-20-10-7-17-37(40)38-18-8-11-21-41(38)45;1-3-9-19(10-4-1)20-15-17-22(18-16-20)26-25(21-11-5-2-6-12-21)23-13-7-8-14-24(23)27-26;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;/h1-30H;1-18,27H;1-12H;1H4
InChIKeyKJZAYSKWDMYKCO-UHFFFAOYSA-N
XLogP25.08
TPSA30.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001270.43
LogP ≤ 525.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)carbazole;methane;3-phenyl-2-(4-phenylphenyl)-1H-indole;9-[4-[3-phenyl-2-(4-phenylphenyl)indol-1-yl]phenyl]carbazole?
The IUPAC name of 9-(4-bromophenyl)carbazole;methane;3-phenyl-2-(4-phenylphenyl)-1H-indole;9-[4-[3-phenyl-2-(4-phenylphenyl)indol-1-yl]phenyl]carbazole (CID 159156662) is 9-(4-bromophenyl)carbazole;methane;3-phenyl-2-(4-phenylphenyl)-1H-indole;9-[4-[3-phenyl-2-(4-phenylphenyl)indol-1-yl]phenyl]carbazole.
What is the SMILES notation for 9-(4-bromophenyl)carbazole;methane;3-phenyl-2-(4-phenylphenyl)-1H-indole;9-[4-[3-phenyl-2-(4-phenylphenyl)indol-1-yl]phenyl]carbazole?
The canonical SMILES for 9-(4-bromophenyl)carbazole;methane;3-phenyl-2-(4-phenylphenyl)-1H-indole;9-[4-[3-phenyl-2-(4-phenylphenyl)indol-1-yl]phenyl]carbazole is Brc1ccc(-n2c3ccccc3c3ccccc32)cc1.C.c1ccc(-c2ccc(-c3[nH]c4ccccc4c3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-c3c(-c4ccccc4)c4ccccc4n3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of 9-(4-bromophenyl)carbazole;methane;3-phenyl-2-(4-phenylphenyl)-1H-indole;9-[4-[3-phenyl-2-(4-phenylphenyl)indol-1-yl]phenyl]carbazole?
The InChIKey is KJZAYSKWDMYKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2.C26H19N.C18H12BrN.CH4/c1-3-13-31(14-4-1)32-23-25-34(26-24-32)44-43(33-15-5-2-6-16-33)39-19-9-12-22-42(39)46(44)36-29-27-35(28-30-36)45-40-20-10-7-17-37(40)38-18-8-11-21-41(38)45;1-3-9-19(10-4-1)20-15-17-22(18-16-20)26-25(21-11-5-2-6-12-21)23-13-7-8-14-24(23)27-26;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;/h1-30H;1-18,27H;1-12H;1H4.
What are the key properties of 9-(4-bromophenyl)carbazole;methane;3-phenyl-2-(4-phenylphenyl)-1H-indole;9-[4-[3-phenyl-2-(4-phenylphenyl)indol-1-yl]phenyl]carbazole?
9-(4-bromophenyl)carbazole;methane;3-phenyl-2-(4-phenylphenyl)-1H-indole;9-[4-[3-phenyl-2-(4-phenylphenyl)indol-1-yl]phenyl]carbazole has a molecular weight of 1270.43 g/mol, XLogP of 25.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)carbazole;methane;3-phenyl-2-(4-phenylphenyl)-1H-indole;9-[4-[3-phenyl-2-(4-phenylphenyl)indol-1-yl]phenyl]carbazole is sourced from PubChem (CID 159156662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).