2,9-dibromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole

C33H23Br2N — CID 58059241

IUPAC2,9-dibromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
SMILESCC1(C)c2cc(Br)ccc2-c2cc3c(cc21)c1cc(Br)ccc1n3-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H23Br2N/c1-33(2)29-17-23(35)10-14-25(29)26-19-32-28(18-30(26)33)27-16-22(34)11-15-31(27)36(32)24-12-8-21(9-13-24)20-6-4-3-5-7-20/h3-19H,1-2H3
InChIKeyHGGGGSVFFGQBOJ-UHFFFAOYSA-N
MW593.36 g/mol
LogP10.28
Rot. Bonds2

About 2,9-dibromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole

2,9-dibromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole (PubChem CID 58059241) has the molecular formula C33H23Br2N and a molecular weight of 593.36 g/mol. Its IUPAC name is 2,9-dibromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole.

Molecular Properties

Compound Name2,9-dibromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
PubChem CID58059241
Molecular FormulaC33H23Br2N
Molecular Weight593.36 g/mol
Exact Mass591.02
IUPAC Name2,9-dibromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
SMILESCC1(C)c2cc(Br)ccc2-c2cc3c(cc21)c1cc(Br)ccc1n3-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H23Br2N/c1-33(2)29-17-23(35)10-14-25(29)26-19-32-28(18-30(26)33)27-16-22(34)11-15-31(27)36(32)24-12-8-21(9-13-24)20-6-4-3-5-7-20/h3-19H,1-2H3
InChIKeyHGGGGSVFFGQBOJ-UHFFFAOYSA-N
XLogP10.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.36
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,9-dibromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole?
The IUPAC name of 2,9-dibromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole (CID 58059241) is 2,9-dibromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole.
What is the SMILES notation for 2,9-dibromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole?
The canonical SMILES for 2,9-dibromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole is CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)c1cc(Br)ccc1n3-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2,9-dibromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole?
The InChIKey is HGGGGSVFFGQBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23Br2N/c1-33(2)29-17-23(35)10-14-25(29)26-19-32-28(18-30(26)33)27-16-22(34)11-15-31(27)36(32)24-12-8-21(9-13-24)20-6-4-3-5-7-20/h3-19H,1-2H3.
What are the key properties of 2,9-dibromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole?
2,9-dibromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole has a molecular weight of 593.36 g/mol, XLogP of 10.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dibromo-11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole is sourced from PubChem (CID 58059241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).