5-(2-bromo-5-phenylphenyl)-7H-indeno[2,1-b]carbazole

C31H20BrN — CID 159789344

IUPAC5-(2-bromo-5-phenylphenyl)-7H-indeno[2,1-b]carbazole
SMILESBrc1ccc(-c2ccccc2)cc1-n1c2ccccc2c2cc3c(cc21)Cc1ccccc1-3
InChIInChI=1S/C31H20BrN/c32-28-15-14-21(20-8-2-1-3-9-20)17-31(28)33-29-13-7-6-12-25(29)27-19-26-23(18-30(27)33)16-22-10-4-5-11-24(22)26/h1-15,17-19H,16H2
InChIKeyZYABWZNVEQLGGT-UHFFFAOYSA-N
MW486.41 g/mol
LogP8.78
Rot. Bonds2

About 5-(2-bromo-5-phenylphenyl)-7H-indeno[2,1-b]carbazole

5-(2-bromo-5-phenylphenyl)-7H-indeno[2,1-b]carbazole (PubChem CID 159789344) has the molecular formula C31H20BrN and a molecular weight of 486.41 g/mol. Its IUPAC name is 5-(2-bromo-5-phenylphenyl)-7H-indeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-(2-bromo-5-phenylphenyl)-7H-indeno[2,1-b]carbazole
PubChem CID159789344
Molecular FormulaC31H20BrN
Molecular Weight486.41 g/mol
Exact Mass485.08
IUPAC Name5-(2-bromo-5-phenylphenyl)-7H-indeno[2,1-b]carbazole
SMILESBrc1ccc(-c2ccccc2)cc1-n1c2ccccc2c2cc3c(cc21)Cc1ccccc1-3
InChIInChI=1S/C31H20BrN/c32-28-15-14-21(20-8-2-1-3-9-20)17-31(28)33-29-13-7-6-12-25(29)27-19-26-23(18-30(27)33)16-22-10-4-5-11-24(22)26/h1-15,17-19H,16H2
InChIKeyZYABWZNVEQLGGT-UHFFFAOYSA-N
XLogP8.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.41
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[2-(9H-fluoren-3-yl)phenyl]carbazole
CID 157409452
5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene
CID 118655949
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine;3-phenyl-9H-fluorene
CID 163551188
3-[9-[3-(9H-fluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole
CID 126753402
N-phenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-9H-fluoren-3-amine
CID 145232650
10-tert-butyl-5-phenyl-7H-indeno[2,1-b]carbazole
CID 58489669
2-bromo-9,9-dimethylfluorene;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 157054225
9-[4-(6-tert-butyl-9H-fluoren-3-yl)phenyl]carbazole
CID 157409455
9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]carbazole
CID 146335978
26-(4-dibenzofuran-2-ylphenyl)-15-thia-26-azaheptacyclo[21.11.0.02,7.09,14.016,21.025,33.027,32]tetratriaconta-1(34),2,4,6,9,11,13,16,18,20,23,25(33),27,29,31-pentadecaene
CID 138547947
2-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241625

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-phenylphenyl)-7H-indeno[2,1-b]carbazole?
The IUPAC name of 5-(2-bromo-5-phenylphenyl)-7H-indeno[2,1-b]carbazole (CID 159789344) is 5-(2-bromo-5-phenylphenyl)-7H-indeno[2,1-b]carbazole.
What is the SMILES notation for 5-(2-bromo-5-phenylphenyl)-7H-indeno[2,1-b]carbazole?
The canonical SMILES for 5-(2-bromo-5-phenylphenyl)-7H-indeno[2,1-b]carbazole is Brc1ccc(-c2ccccc2)cc1-n1c2ccccc2c2cc3c(cc21)Cc1ccccc1-3.
What is the InChIKey of 5-(2-bromo-5-phenylphenyl)-7H-indeno[2,1-b]carbazole?
The InChIKey is ZYABWZNVEQLGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20BrN/c32-28-15-14-21(20-8-2-1-3-9-20)17-31(28)33-29-13-7-6-12-25(29)27-19-26-23(18-30(27)33)16-22-10-4-5-11-24(22)26/h1-15,17-19H,16H2.
What are the key properties of 5-(2-bromo-5-phenylphenyl)-7H-indeno[2,1-b]carbazole?
5-(2-bromo-5-phenylphenyl)-7H-indeno[2,1-b]carbazole has a molecular weight of 486.41 g/mol, XLogP of 8.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-phenylphenyl)-7H-indeno[2,1-b]carbazole is sourced from PubChem (CID 159789344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).