9-(7-bromo-9,9-dimethylfluoren-2-yl)-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole

C42H32BrN — CID 71251372

IUPAC9-(7-bromo-9,9-dimethylfluoren-2-yl)-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc5c6ccccc6n(-c6ccccc6)c5cc3-4)cc21
InChIInChI=1S/C42H32BrN/c1-41(2)35-20-25(14-17-29(35)30-19-16-27(43)22-37(30)41)26-15-18-31-33-24-40-34(23-38(33)42(3,4)36(31)21-26)32-12-8-9-13-39(32)44(40)28-10-6-5-7-11-28/h5-24H,1-4H3
InChIKeyZAASWTCDXHDQML-UHFFFAOYSA-N
MW630.63 g/mol
LogP11.83
Rot. Bonds2

About 9-(7-bromo-9,9-dimethylfluoren-2-yl)-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole

9-(7-bromo-9,9-dimethylfluoren-2-yl)-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole (PubChem CID 71251372) has the molecular formula C42H32BrN and a molecular weight of 630.63 g/mol. Its IUPAC name is 9-(7-bromo-9,9-dimethylfluoren-2-yl)-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name9-(7-bromo-9,9-dimethylfluoren-2-yl)-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
PubChem CID71251372
Molecular FormulaC42H32BrN
Molecular Weight630.63 g/mol
Exact Mass629.17
IUPAC Name9-(7-bromo-9,9-dimethylfluoren-2-yl)-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc5c6ccccc6n(-c6ccccc6)c5cc3-4)cc21
InChIInChI=1S/C42H32BrN/c1-41(2)35-20-25(14-17-29(35)30-19-16-27(43)22-37(30)41)26-15-18-31-33-24-40-34(23-38(33)42(3,4)36(31)21-26)32-12-8-9-13-39(32)44(40)28-10-6-5-7-11-28/h5-24H,1-4H3
InChIKeyZAASWTCDXHDQML-UHFFFAOYSA-N
XLogP11.83
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.63
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(7-bromo-9,9-dimethylfluoren-2-yl)-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole?
The IUPAC name of 9-(7-bromo-9,9-dimethylfluoren-2-yl)-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole (CID 71251372) is 9-(7-bromo-9,9-dimethylfluoren-2-yl)-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole.
What is the SMILES notation for 9-(7-bromo-9,9-dimethylfluoren-2-yl)-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole?
The canonical SMILES for 9-(7-bromo-9,9-dimethylfluoren-2-yl)-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole is CC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc5c6ccccc6n(-c6ccccc6)c5cc3-4)cc21.
What is the InChIKey of 9-(7-bromo-9,9-dimethylfluoren-2-yl)-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole?
The InChIKey is ZAASWTCDXHDQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32BrN/c1-41(2)35-20-25(14-17-29(35)30-19-16-27(43)22-37(30)41)26-15-18-31-33-24-40-34(23-38(33)42(3,4)36(31)21-26)32-12-8-9-13-39(32)44(40)28-10-6-5-7-11-28/h5-24H,1-4H3.
What are the key properties of 9-(7-bromo-9,9-dimethylfluoren-2-yl)-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole?
9-(7-bromo-9,9-dimethylfluoren-2-yl)-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole has a molecular weight of 630.63 g/mol, XLogP of 11.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-bromo-9,9-dimethylfluoren-2-yl)-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole is sourced from PubChem (CID 71251372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).