1-bromo-10,10-dimethyl-5-phenylindeno[1,2-b]indole

C23H18BrN — CID 121302697

IUPAC1-bromo-10,10-dimethyl-5-phenylindeno[1,2-b]indole
SMILESCC1(C)c2c(Br)cccc2-c2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C23H18BrN/c1-23(2)20-17(12-8-13-18(20)24)22-21(23)16-11-6-7-14-19(16)25(22)15-9-4-3-5-10-15/h3-14H,1-2H3
InChIKeyUBHPHOXILOAQKS-UHFFFAOYSA-N
MW388.31 g/mol
LogP6.70
Rot. Bonds1

About 1-bromo-10,10-dimethyl-5-phenylindeno[1,2-b]indole

1-bromo-10,10-dimethyl-5-phenylindeno[1,2-b]indole (PubChem CID 121302697) has the molecular formula C23H18BrN and a molecular weight of 388.31 g/mol. Its IUPAC name is 1-bromo-10,10-dimethyl-5-phenylindeno[1,2-b]indole.

Molecular Properties

Compound Name1-bromo-10,10-dimethyl-5-phenylindeno[1,2-b]indole
PubChem CID121302697
Molecular FormulaC23H18BrN
Molecular Weight388.31 g/mol
Exact Mass387.06
IUPAC Name1-bromo-10,10-dimethyl-5-phenylindeno[1,2-b]indole
SMILESCC1(C)c2c(Br)cccc2-c2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C23H18BrN/c1-23(2)20-17(12-8-13-18(20)24)22-21(23)16-11-6-7-14-19(16)25(22)15-9-4-3-5-10-15/h3-14H,1-2H3
InChIKeyUBHPHOXILOAQKS-UHFFFAOYSA-N
XLogP6.70
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.31
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(8-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 142720413
10,10-dimethyl-5-(4-methylphenyl)indeno[1,2-b]indole
CID 144549130
8-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121275073
11,11-dimethyl-3,7-diphenyl-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene
CID 144609145
8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121274991
15,15-dimethyl-6-phenyl-24-(4-phenylphenyl)-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 134313392
N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-3-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121267037
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
2-bromo-6-(9-phenylcarbazol-3-yl)benzaldehyde
CID 134338050
3-(2,6-dibromophenyl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 164756576
11,11-dimethyl-6,7,8,14,15,16-hexakis-phenyl-6,16-diazapentacyclo[10.7.0.02,10.05,9.013,17]nonadeca-1(12),2(10),3,5(9),7,13(17),14,18-octaene
CID 71142605
10,10-dimethyl-5-(1-phenylbenzimidazol-4-yl)indeno[1,2-b]indole
CID 121285583

Frequently Asked Questions

What is the IUPAC name of 1-bromo-10,10-dimethyl-5-phenylindeno[1,2-b]indole?
The IUPAC name of 1-bromo-10,10-dimethyl-5-phenylindeno[1,2-b]indole (CID 121302697) is 1-bromo-10,10-dimethyl-5-phenylindeno[1,2-b]indole.
What is the SMILES notation for 1-bromo-10,10-dimethyl-5-phenylindeno[1,2-b]indole?
The canonical SMILES for 1-bromo-10,10-dimethyl-5-phenylindeno[1,2-b]indole is CC1(C)c2c(Br)cccc2-c2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of 1-bromo-10,10-dimethyl-5-phenylindeno[1,2-b]indole?
The InChIKey is UBHPHOXILOAQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN/c1-23(2)20-17(12-8-13-18(20)24)22-21(23)16-11-6-7-14-19(16)25(22)15-9-4-3-5-10-15/h3-14H,1-2H3.
What are the key properties of 1-bromo-10,10-dimethyl-5-phenylindeno[1,2-b]indole?
1-bromo-10,10-dimethyl-5-phenylindeno[1,2-b]indole has a molecular weight of 388.31 g/mol, XLogP of 6.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-10,10-dimethyl-5-phenylindeno[1,2-b]indole is sourced from PubChem (CID 121302697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).