8-bromo-12-(2-chlorophenyl)-7,7-diphenylindeno[1,2-a]carbazole

C37H23BrClN — CID 169023385

IUPAC8-bromo-12-(2-chlorophenyl)-7,7-diphenylindeno[1,2-a]carbazole
SMILESClc1ccccc1-n1c2ccccc2c2ccc3c(c21)-c1cccc(Br)c1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H23BrClN/c38-30-18-11-17-28-34-29(37(35(28)30,24-12-3-1-4-13-24)25-14-5-2-6-15-25)23-22-27-26-16-7-9-20-32(26)40(36(27)34)33-21-10-8-19-31(33)39/h1-23H
InChIKeyBQRFDPBVASQYCE-UHFFFAOYSA-N
MW596.96 g/mol
LogP10.56
Rot. Bonds3

About 8-bromo-12-(2-chlorophenyl)-7,7-diphenylindeno[1,2-a]carbazole

8-bromo-12-(2-chlorophenyl)-7,7-diphenylindeno[1,2-a]carbazole (PubChem CID 169023385) has the molecular formula C37H23BrClN and a molecular weight of 596.96 g/mol. Its IUPAC name is 8-bromo-12-(2-chlorophenyl)-7,7-diphenylindeno[1,2-a]carbazole.

Molecular Properties

Compound Name8-bromo-12-(2-chlorophenyl)-7,7-diphenylindeno[1,2-a]carbazole
PubChem CID169023385
Molecular FormulaC37H23BrClN
Molecular Weight596.96 g/mol
Exact Mass595.07
IUPAC Name8-bromo-12-(2-chlorophenyl)-7,7-diphenylindeno[1,2-a]carbazole
SMILESClc1ccccc1-n1c2ccccc2c2ccc3c(c21)-c1cccc(Br)c1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H23BrClN/c38-30-18-11-17-28-34-29(37(35(28)30,24-12-3-1-4-13-24)25-14-5-2-6-15-25)23-22-27-26-16-7-9-20-32(26)40(36(27)34)33-21-10-8-19-31(33)39/h1-23H
InChIKeyBQRFDPBVASQYCE-UHFFFAOYSA-N
XLogP10.56
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.96
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
CID 167224979
4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572322
4-bromo-26-methyl-26-(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 167225079
13-(4-chlorophenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 139340772
[2-(2-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylphenyl)phenyl]boronic acid
CID 123923323
4-bromo-7-(2-chlorophenyl)benzo[c]carbazole
CID 134436835
7,7-diphenyl-12-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-a]carbazole
CID 121343577
26,26-diphenyl-N,N-bis(4-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaen-11-amine
CID 169023199
2,5-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572398
9-[2-(2-chlorophenyl)phenyl]-1-fluorocarbazole
CID 163919842
14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
CID 162093408
12'-[2-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014850

Frequently Asked Questions

What is the IUPAC name of 8-bromo-12-(2-chlorophenyl)-7,7-diphenylindeno[1,2-a]carbazole?
The IUPAC name of 8-bromo-12-(2-chlorophenyl)-7,7-diphenylindeno[1,2-a]carbazole (CID 169023385) is 8-bromo-12-(2-chlorophenyl)-7,7-diphenylindeno[1,2-a]carbazole.
What is the SMILES notation for 8-bromo-12-(2-chlorophenyl)-7,7-diphenylindeno[1,2-a]carbazole?
The canonical SMILES for 8-bromo-12-(2-chlorophenyl)-7,7-diphenylindeno[1,2-a]carbazole is Clc1ccccc1-n1c2ccccc2c2ccc3c(c21)-c1cccc(Br)c1C3(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-bromo-12-(2-chlorophenyl)-7,7-diphenylindeno[1,2-a]carbazole?
The InChIKey is BQRFDPBVASQYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23BrClN/c38-30-18-11-17-28-34-29(37(35(28)30,24-12-3-1-4-13-24)25-14-5-2-6-15-25)23-22-27-26-16-7-9-20-32(26)40(36(27)34)33-21-10-8-19-31(33)39/h1-23H.
What are the key properties of 8-bromo-12-(2-chlorophenyl)-7,7-diphenylindeno[1,2-a]carbazole?
8-bromo-12-(2-chlorophenyl)-7,7-diphenylindeno[1,2-a]carbazole has a molecular weight of 596.96 g/mol, XLogP of 10.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-12-(2-chlorophenyl)-7,7-diphenylindeno[1,2-a]carbazole is sourced from PubChem (CID 169023385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).