7-bromo-9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indole

C35H26BrN — CID 71260918

IUPAC7-bromo-9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indole
SMILESCC1(C)c2cc(Br)ccc2-c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c3cc21
InChIInChI=1S/C35H26BrN/c1-35(2)30-20-25(36)18-19-27(30)28-21-29-32(22-31(28)35)37(26-16-10-5-11-17-26)34(24-14-8-4-9-15-24)33(29)23-12-6-3-7-13-23/h3-22H,1-2H3
InChIKeyPYKVFNBVUDTERQ-UHFFFAOYSA-N
MW540.50 g/mol
LogP10.03
Rot. Bonds3

About 7-bromo-9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indole

7-bromo-9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indole (PubChem CID 71260918) has the molecular formula C35H26BrN and a molecular weight of 540.50 g/mol. Its IUPAC name is 7-bromo-9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indole.

Molecular Properties

Compound Name7-bromo-9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indole
PubChem CID71260918
Molecular FormulaC35H26BrN
Molecular Weight540.50 g/mol
Exact Mass539.12
IUPAC Name7-bromo-9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indole
SMILESCC1(C)c2cc(Br)ccc2-c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c3cc21
InChIInChI=1S/C35H26BrN/c1-35(2)30-20-25(36)18-19-27(30)28-21-29-32(22-31(28)35)37(26-16-10-5-11-17-26)34(24-14-8-4-9-15-24)33(29)23-12-6-3-7-13-23/h3-22H,1-2H3
InChIKeyPYKVFNBVUDTERQ-UHFFFAOYSA-N
XLogP10.03
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.50
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indole?
The IUPAC name of 7-bromo-9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indole (CID 71260918) is 7-bromo-9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indole.
What is the SMILES notation for 7-bromo-9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indole?
The canonical SMILES for 7-bromo-9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indole is CC1(C)c2cc(Br)ccc2-c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c3cc21.
What is the InChIKey of 7-bromo-9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indole?
The InChIKey is PYKVFNBVUDTERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26BrN/c1-35(2)30-20-25(36)18-19-27(30)28-21-29-32(22-31(28)35)37(26-16-10-5-11-17-26)34(24-14-8-4-9-15-24)33(29)23-12-6-3-7-13-23/h3-22H,1-2H3.
What are the key properties of 7-bromo-9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indole?
7-bromo-9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indole has a molecular weight of 540.50 g/mol, XLogP of 10.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indole is sourced from PubChem (CID 71260918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).