2-bromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole

C33H24BrN — CID 58059200

IUPAC2-bromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(Br)ccc1n3-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H24BrN/c1-33(2)29-11-7-6-10-25(29)26-20-32-28(19-30(26)33)27-18-23(34)14-17-31(27)35(32)24-15-12-22(13-16-24)21-8-4-3-5-9-21/h3-20H,1-2H3
InChIKeyPXNOVDVBBREALX-UHFFFAOYSA-N
MW514.47 g/mol
LogP9.52
Rot. Bonds2

About 2-bromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole

2-bromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole (PubChem CID 58059200) has the molecular formula C33H24BrN and a molecular weight of 514.47 g/mol. Its IUPAC name is 2-bromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole.

Molecular Properties

Compound Name2-bromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
PubChem CID58059200
Molecular FormulaC33H24BrN
Molecular Weight514.47 g/mol
Exact Mass513.11
IUPAC Name2-bromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(Br)ccc1n3-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H24BrN/c1-33(2)29-11-7-6-10-25(29)26-20-32-28(19-30(26)33)27-18-23(34)14-17-31(27)35(32)24-15-12-22(13-16-24)21-8-4-3-5-9-21/h3-20H,1-2H3
InChIKeyPXNOVDVBBREALX-UHFFFAOYSA-N
XLogP9.52
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.47
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole?
The IUPAC name of 2-bromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole (CID 58059200) is 2-bromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole.
What is the SMILES notation for 2-bromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole?
The canonical SMILES for 2-bromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(Br)ccc1n3-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-bromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole?
The InChIKey is PXNOVDVBBREALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24BrN/c1-33(2)29-11-7-6-10-25(29)26-20-32-28(19-30(26)33)27-18-23(34)14-17-31(27)35(32)24-15-12-22(13-16-24)21-8-4-3-5-9-21/h3-20H,1-2H3.
What are the key properties of 2-bromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole?
2-bromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole has a molecular weight of 514.47 g/mol, XLogP of 9.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole is sourced from PubChem (CID 58059200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).