3-(8-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole

C33H24BrN — CID 142720413

IUPAC3-(8-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2cccc(Br)c21
InChIInChI=1S/C33H24BrN/c1-33(2)28-20-22(15-17-24(28)26-12-8-13-29(34)32(26)33)21-16-18-31-27(19-21)25-11-6-7-14-30(25)35(31)23-9-4-3-5-10-23/h3-20H,1-2H3
InChIKeyDQROYSGBZHAISK-UHFFFAOYSA-N
MW514.47 g/mol
LogP9.52
Rot. Bonds2

About 3-(8-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole

3-(8-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole (PubChem CID 142720413) has the molecular formula C33H24BrN and a molecular weight of 514.47 g/mol. Its IUPAC name is 3-(8-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(8-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
PubChem CID142720413
Molecular FormulaC33H24BrN
Molecular Weight514.47 g/mol
Exact Mass513.11
IUPAC Name3-(8-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2cccc(Br)c21
InChIInChI=1S/C33H24BrN/c1-33(2)28-20-22(15-17-24(28)26-12-8-13-29(34)32(26)33)21-16-18-31-27(19-21)25-11-6-7-14-30(25)35(31)23-9-4-3-5-10-23/h3-20H,1-2H3
InChIKeyDQROYSGBZHAISK-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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Related Compounds

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-[6-[9,9-dimethyl-7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-yl]naphthalen-2-yl]-9-phenylcarbazole
CID 59236707
2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 67473689
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163519733
3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236669
3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236549
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
3-[3-(12,12-dimethylindeno[2,1-a]thianthren-10-yl)phenyl]-9-phenylcarbazole
CID 134175822

Frequently Asked Questions

What is the IUPAC name of 3-(8-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole?
The IUPAC name of 3-(8-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole (CID 142720413) is 3-(8-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(8-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(8-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole is CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2cccc(Br)c21.
What is the InChIKey of 3-(8-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole?
The InChIKey is DQROYSGBZHAISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24BrN/c1-33(2)28-20-22(15-17-24(28)26-12-8-13-29(34)32(26)33)21-16-18-31-27(19-21)25-11-6-7-14-30(25)35(31)23-9-4-3-5-10-23/h3-20H,1-2H3.
What are the key properties of 3-(8-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole?
3-(8-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole 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 3-(8-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 142720413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).