2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole

C49H32BrN — CID 90216005

IUPAC2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole
SMILESBrc1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4c3)c2)cc1
InChIInChI=1S/C49H32BrN/c50-39-25-22-33(23-26-39)34-12-11-13-35(30-34)36-24-28-44-43-19-8-10-21-47(43)51(48(44)31-36)40-27-29-42-41-18-7-9-20-45(41)49(46(42)32-40,37-14-3-1-4-15-37)38-16-5-2-6-17-38/h1-32H
InChIKeyGNVJFLORJVNDRK-UHFFFAOYSA-N
MW714.71 g/mol
LogP13.24
Rot. Bonds5

About 2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole

2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole (PubChem CID 90216005) has the molecular formula C49H32BrN and a molecular weight of 714.71 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole
PubChem CID90216005
Molecular FormulaC49H32BrN
Molecular Weight714.71 g/mol
Exact Mass713.17
IUPAC Name2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole
SMILESBrc1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4c3)c2)cc1
InChIInChI=1S/C49H32BrN/c50-39-25-22-33(23-26-39)34-12-11-13-35(30-34)36-24-28-44-43-19-8-10-21-47(43)51(48(44)31-36)40-27-29-42-41-18-7-9-20-45(41)49(46(42)32-40,37-14-3-1-4-15-37)38-16-5-2-6-17-38/h1-32H
InChIKeyGNVJFLORJVNDRK-UHFFFAOYSA-N
XLogP13.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.71
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline
CID 118505684
2-[3-(4-bromophenyl)phenyl]-9-[3-(9,9-diphenylfluoren-1-yl)phenyl]carbazole
CID 90216135
9-(9,9-diphenylfluoren-2-yl)-2-[3-(3-methylphenyl)phenyl]carbazole
CID 90215950
N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline
CID 118682510
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole
CID 90216145
N,9,9-triphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 118505876
2-(3-bromophenyl)-9-(9,9-diphenylfluoren-1-yl)carbazole;2-(3-bromophenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;2-(3-bromophenyl)-9-(9,9-diphenylfluoren-3-yl)carbazole;2-(3-bromophenyl)-9-(9,9-diphenylfluoren-4-yl)carbazole
CID 158627410
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573
N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 129085062
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole?
The IUPAC name of 2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole (CID 90216005) is 2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole.
What is the SMILES notation for 2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole?
The canonical SMILES for 2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole is Brc1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4c3)c2)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole?
The InChIKey is GNVJFLORJVNDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32BrN/c50-39-25-22-33(23-26-39)34-12-11-13-35(30-34)36-24-28-44-43-19-8-10-21-47(43)51(48(44)31-36)40-27-29-42-41-18-7-9-20-45(41)49(46(42)32-40,37-14-3-1-4-15-37)38-16-5-2-6-17-38/h1-32H.
What are the key properties of 2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole?
2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole has a molecular weight of 714.71 g/mol, XLogP of 13.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole is sourced from PubChem (CID 90216005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).