2-(3-bromophenyl)-9-(9,9-dimethylfluoren-1-yl)-6-phenylcarbazole

C39H28BrN — CID 118505946

IUPAC2-(3-bromophenyl)-9-(9,9-dimethylfluoren-1-yl)-6-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4ccc(-c5cccc(Br)c5)cc43)c21
InChIInChI=1S/C39H28BrN/c1-39(2)34-16-7-6-14-30(34)32-15-9-17-36(38(32)39)41-35-21-19-27(25-10-4-3-5-11-25)23-33(35)31-20-18-28(24-37(31)41)26-12-8-13-29(40)22-26/h3-24H,1-2H3
InChIKeyPOYPEUFIIQUFLO-UHFFFAOYSA-N
MW590.56 g/mol
LogP11.19
Rot. Bonds3

About 2-(3-bromophenyl)-9-(9,9-dimethylfluoren-1-yl)-6-phenylcarbazole

2-(3-bromophenyl)-9-(9,9-dimethylfluoren-1-yl)-6-phenylcarbazole (PubChem CID 118505946) has the molecular formula C39H28BrN and a molecular weight of 590.56 g/mol. Its IUPAC name is 2-(3-bromophenyl)-9-(9,9-dimethylfluoren-1-yl)-6-phenylcarbazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-9-(9,9-dimethylfluoren-1-yl)-6-phenylcarbazole
PubChem CID118505946
Molecular FormulaC39H28BrN
Molecular Weight590.56 g/mol
Exact Mass589.14
IUPAC Name2-(3-bromophenyl)-9-(9,9-dimethylfluoren-1-yl)-6-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4ccc(-c5cccc(Br)c5)cc43)c21
InChIInChI=1S/C39H28BrN/c1-39(2)34-16-7-6-14-30(34)32-15-9-17-36(38(32)39)41-35-21-19-27(25-10-4-3-5-11-25)23-33(35)31-20-18-28(24-37(31)41)26-12-8-13-29(40)22-26/h3-24H,1-2H3
InChIKeyPOYPEUFIIQUFLO-UHFFFAOYSA-N
XLogP11.19
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.56
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-[3-(3-bromophenyl)phenyl]-9-(3,9,9-trimethylfluoren-1-yl)carbazole
CID 145232525
2-[3-(3-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole
CID 90216180
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163711391
2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole
CID 90216145
9-(9,9-dimethylfluoren-1-yl)-3-[3-(2-methylphenyl)phenyl]carbazole;ethane;1-methyl-4-phenylbenzene;3,9,9-trimethylfluorene
CID 144639950
2-[3-(3-bromophenyl)phenyl]-6,9-diphenylcarbazole
CID 90216159
9-(9,9-dimethylfluoren-1-yl)-3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]carbazole;4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 163701249
5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 171414844
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(3-isocyanophenyl)carbazole
CID 140790446
6-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole
CID 145327658

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-9-(9,9-dimethylfluoren-1-yl)-6-phenylcarbazole?
The IUPAC name of 2-(3-bromophenyl)-9-(9,9-dimethylfluoren-1-yl)-6-phenylcarbazole (CID 118505946) is 2-(3-bromophenyl)-9-(9,9-dimethylfluoren-1-yl)-6-phenylcarbazole.
What is the SMILES notation for 2-(3-bromophenyl)-9-(9,9-dimethylfluoren-1-yl)-6-phenylcarbazole?
The canonical SMILES for 2-(3-bromophenyl)-9-(9,9-dimethylfluoren-1-yl)-6-phenylcarbazole is CC1(C)c2ccccc2-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4ccc(-c5cccc(Br)c5)cc43)c21.
What is the InChIKey of 2-(3-bromophenyl)-9-(9,9-dimethylfluoren-1-yl)-6-phenylcarbazole?
The InChIKey is POYPEUFIIQUFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28BrN/c1-39(2)34-16-7-6-14-30(34)32-15-9-17-36(38(32)39)41-35-21-19-27(25-10-4-3-5-11-25)23-33(35)31-20-18-28(24-37(31)41)26-12-8-13-29(40)22-26/h3-24H,1-2H3.
What are the key properties of 2-(3-bromophenyl)-9-(9,9-dimethylfluoren-1-yl)-6-phenylcarbazole?
2-(3-bromophenyl)-9-(9,9-dimethylfluoren-1-yl)-6-phenylcarbazole has a molecular weight of 590.56 g/mol, XLogP of 11.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-9-(9,9-dimethylfluoren-1-yl)-6-phenylcarbazole is sourced from PubChem (CID 118505946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).