3-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-9-phenylcarbazole

C33H32BrN — CID 170567721

IUPAC3-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-9-phenylcarbazole
SMILESCC1(C)c2cc(Br)c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C33H32BrN/c1-31(2)26-19-24(28(34)20-27(26)32(3,4)33(31,5)6)21-16-17-30-25(18-21)23-14-10-11-15-29(23)35(30)22-12-8-7-9-13-22/h7-20H,1-6H3
InChIKeyWBNATVGGWBHFCK-UHFFFAOYSA-N
MW522.53 g/mol
LogP9.81
Rot. Bonds2

About 3-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-9-phenylcarbazole

3-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-9-phenylcarbazole (PubChem CID 170567721) has the molecular formula C33H32BrN and a molecular weight of 522.53 g/mol. Its IUPAC name is 3-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-9-phenylcarbazole
PubChem CID170567721
Molecular FormulaC33H32BrN
Molecular Weight522.53 g/mol
Exact Mass521.17
IUPAC Name3-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-9-phenylcarbazole
SMILESCC1(C)c2cc(Br)c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C33H32BrN/c1-31(2)26-19-24(28(34)20-27(26)32(3,4)33(31,5)6)21-16-17-30-25(18-21)23-14-10-11-15-29(23)35(30)22-12-8-7-9-13-22/h7-20H,1-6H3
InChIKeyWBNATVGGWBHFCK-UHFFFAOYSA-N
XLogP9.81
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.53
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1,1,2,2,3,3-hexamethyl-6-triphenylen-2-ylinden-5-yl)-9-phenylcarbazole
CID 177269722
6-[4-(1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazol-6-yl)phenyl]-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole
CID 126598851
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole
CID 126598868
3-(1,1,2,2,3,3-hexamethyl-6-triphenylen-1-ylinden-5-yl)-6,9-diphenylcarbazole
CID 170567795
1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole
CID 126598422
6-[3-(1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazol-6-yl)phenyl]-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole
CID 126598816
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172
3-(8-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 142720413
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]cyclopenta[b]carbazole
CID 145257445
3-[1,1,2,2,3,3-hexamethyl-6-(3-phenylphenyl)inden-5-yl]-9-naphthalen-1-ylcarbazole
CID 170567805
3-[9-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)carbazol-3-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177269832

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-9-phenylcarbazole?
The IUPAC name of 3-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-9-phenylcarbazole (CID 170567721) is 3-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-9-phenylcarbazole is CC1(C)c2cc(Br)c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2C(C)(C)C1(C)C.
What is the InChIKey of 3-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-9-phenylcarbazole?
The InChIKey is WBNATVGGWBHFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32BrN/c1-31(2)26-19-24(28(34)20-27(26)32(3,4)33(31,5)6)21-16-17-30-25(18-21)23-14-10-11-15-29(23)35(30)22-12-8-7-9-13-22/h7-20H,1-6H3.
What are the key properties of 3-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-9-phenylcarbazole?
3-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-9-phenylcarbazole has a molecular weight of 522.53 g/mol, XLogP of 9.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-9-phenylcarbazole is sourced from PubChem (CID 170567721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).