2-bromo-9-naphthalen-2-ylcarbazole;2-bromo-9-phenylcarbazole;2-bromo-9-(3-phenylphenyl)carbazole;2-bromo-9-(4-phenylphenyl)carbazole

C88H58Br4N4 — CID 158059699

IUPAC2-bromo-9-naphthalen-2-ylcarbazole;2-bromo-9-phenylcarbazole;2-bromo-9-(3-phenylphenyl)carbazole;2-bromo-9-(4-phenylphenyl)carbazole
SMILESBrc1ccc2c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c2c1.Brc1ccc2c3ccccc3n(-c3ccc4ccccc4c3)c2c1.Brc1ccc2c3ccccc3n(-c3cccc(-c4ccccc4)c3)c2c1.Brc1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/2C24H16BrN.C22H14BrN.C18H12BrN/c25-19-13-14-22-21-11-4-5-12-23(21)26(24(22)16-19)20-10-6-9-18(15-20)17-7-2-1-3-8-17;25-19-12-15-22-21-8-4-5-9-23(21)26(24(22)16-19)20-13-10-18(11-14-20)17-6-2-1-3-7-17;23-17-10-12-20-19-7-3-4-8-21(19)24(22(20)14-17)18-11-9-15-5-1-2-6-16(15)13-18;19-13-10-11-16-15-8-4-5-9-17(15)20(18(16)12-13)14-6-2-1-3-7-14/h2*1-16H;1-14H;1-12H
InChIKeyFKMKATQJEWAEIN-UHFFFAOYSA-N
MW1491.08 g/mol
LogP26.67
Rot. Bonds6

About 2-bromo-9-naphthalen-2-ylcarbazole;2-bromo-9-phenylcarbazole;2-bromo-9-(3-phenylphenyl)carbazole;2-bromo-9-(4-phenylphenyl)carbazole

2-bromo-9-naphthalen-2-ylcarbazole;2-bromo-9-phenylcarbazole;2-bromo-9-(3-phenylphenyl)carbazole;2-bromo-9-(4-phenylphenyl)carbazole (PubChem CID 158059699) has the molecular formula C88H58Br4N4 and a molecular weight of 1491.08 g/mol. Its IUPAC name is 2-bromo-9-naphthalen-2-ylcarbazole;2-bromo-9-phenylcarbazole;2-bromo-9-(3-phenylphenyl)carbazole;2-bromo-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name2-bromo-9-naphthalen-2-ylcarbazole;2-bromo-9-phenylcarbazole;2-bromo-9-(3-phenylphenyl)carbazole;2-bromo-9-(4-phenylphenyl)carbazole
PubChem CID158059699
Molecular FormulaC88H58Br4N4
Molecular Weight1491.08 g/mol
Exact Mass1486.14
IUPAC Name2-bromo-9-naphthalen-2-ylcarbazole;2-bromo-9-phenylcarbazole;2-bromo-9-(3-phenylphenyl)carbazole;2-bromo-9-(4-phenylphenyl)carbazole
SMILESBrc1ccc2c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c2c1.Brc1ccc2c3ccccc3n(-c3ccc4ccccc4c3)c2c1.Brc1ccc2c3ccccc3n(-c3cccc(-c4ccccc4)c3)c2c1.Brc1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/2C24H16BrN.C22H14BrN.C18H12BrN/c25-19-13-14-22-21-11-4-5-12-23(21)26(24(22)16-19)20-10-6-9-18(15-20)17-7-2-1-3-8-17;25-19-12-15-22-21-8-4-5-9-23(21)26(24(22)16-19)20-13-10-18(11-14-20)17-6-2-1-3-7-17;23-17-10-12-20-19-7-3-4-8-21(19)24(22(20)14-17)18-11-9-15-5-1-2-6-16(15)13-18;19-13-10-11-16-15-8-4-5-9-17(15)20(18(16)12-13)14-6-2-1-3-7-14/h2*1-16H;1-14H;1-12H
InChIKeyFKMKATQJEWAEIN-UHFFFAOYSA-N
XLogP26.67
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001491.08
LogP ≤ 526.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole
CID 118265635
2-bromo-9-(3-phenylphenyl)carbazole
CID 118242889
2-[3-(3-bromophenyl)phenyl]-9-naphthalen-2-ylcarbazole
CID 90216158
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole
CID 158991162
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
11-(3-naphthalen-2-ylphenyl)-5-phenylindolo[3,2-b]carbazole
CID 167157338
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
3-carbazol-9-yl-9-(3-carbazol-9-ylphenyl)carbazole;3-carbazol-9-yl-9-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 157218905
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-naphthalen-2-ylcarbazole;2-bromo-9-phenylcarbazole;2-bromo-9-(3-phenylphenyl)carbazole;2-bromo-9-(4-phenylphenyl)carbazole?
The IUPAC name of 2-bromo-9-naphthalen-2-ylcarbazole;2-bromo-9-phenylcarbazole;2-bromo-9-(3-phenylphenyl)carbazole;2-bromo-9-(4-phenylphenyl)carbazole (CID 158059699) is 2-bromo-9-naphthalen-2-ylcarbazole;2-bromo-9-phenylcarbazole;2-bromo-9-(3-phenylphenyl)carbazole;2-bromo-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 2-bromo-9-naphthalen-2-ylcarbazole;2-bromo-9-phenylcarbazole;2-bromo-9-(3-phenylphenyl)carbazole;2-bromo-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 2-bromo-9-naphthalen-2-ylcarbazole;2-bromo-9-phenylcarbazole;2-bromo-9-(3-phenylphenyl)carbazole;2-bromo-9-(4-phenylphenyl)carbazole is Brc1ccc2c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c2c1.Brc1ccc2c3ccccc3n(-c3ccc4ccccc4c3)c2c1.Brc1ccc2c3ccccc3n(-c3cccc(-c4ccccc4)c3)c2c1.Brc1ccc2c3ccccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 2-bromo-9-naphthalen-2-ylcarbazole;2-bromo-9-phenylcarbazole;2-bromo-9-(3-phenylphenyl)carbazole;2-bromo-9-(4-phenylphenyl)carbazole?
The InChIKey is FKMKATQJEWAEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H16BrN.C22H14BrN.C18H12BrN/c25-19-13-14-22-21-11-4-5-12-23(21)26(24(22)16-19)20-10-6-9-18(15-20)17-7-2-1-3-8-17;25-19-12-15-22-21-8-4-5-9-23(21)26(24(22)16-19)20-13-10-18(11-14-20)17-6-2-1-3-7-17;23-17-10-12-20-19-7-3-4-8-21(19)24(22(20)14-17)18-11-9-15-5-1-2-6-16(15)13-18;19-13-10-11-16-15-8-4-5-9-17(15)20(18(16)12-13)14-6-2-1-3-7-14/h2*1-16H;1-14H;1-12H.
What are the key properties of 2-bromo-9-naphthalen-2-ylcarbazole;2-bromo-9-phenylcarbazole;2-bromo-9-(3-phenylphenyl)carbazole;2-bromo-9-(4-phenylphenyl)carbazole?
2-bromo-9-naphthalen-2-ylcarbazole;2-bromo-9-phenylcarbazole;2-bromo-9-(3-phenylphenyl)carbazole;2-bromo-9-(4-phenylphenyl)carbazole has a molecular weight of 1491.08 g/mol, XLogP of 26.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-naphthalen-2-ylcarbazole;2-bromo-9-phenylcarbazole;2-bromo-9-(3-phenylphenyl)carbazole;2-bromo-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 158059699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).