2-[3-(4-bromophenyl)phenyl]-9-[3-(9,9-diphenylfluoren-1-yl)phenyl]carbazole

C55H36BrN — CID 90216135

IUPAC2-[3-(4-bromophenyl)phenyl]-9-[3-(9,9-diphenylfluoren-1-yl)phenyl]carbazole
SMILESBrc1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5cccc(-c6cccc7c6C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5)c4c3)c2)cc1
InChIInChI=1S/C55H36BrN/c56-44-31-28-37(29-32-44)38-14-11-15-39(34-38)40-30-33-49-48-23-8-10-27-52(48)57(53(49)36-40)45-21-12-16-41(35-45)46-24-13-25-50-47-22-7-9-26-51(47)55(54(46)50,42-17-3-1-4-18-42)43-19-5-2-6-20-43/h1-36H
InChIKeyFYLRCLJPUGYCJV-UHFFFAOYSA-N
MW790.80 g/mol
LogP14.91
Rot. Bonds6

About 2-[3-(4-bromophenyl)phenyl]-9-[3-(9,9-diphenylfluoren-1-yl)phenyl]carbazole

2-[3-(4-bromophenyl)phenyl]-9-[3-(9,9-diphenylfluoren-1-yl)phenyl]carbazole (PubChem CID 90216135) has the molecular formula C55H36BrN and a molecular weight of 790.80 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)phenyl]-9-[3-(9,9-diphenylfluoren-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)phenyl]-9-[3-(9,9-diphenylfluoren-1-yl)phenyl]carbazole
PubChem CID90216135
Molecular FormulaC55H36BrN
Molecular Weight790.80 g/mol
Exact Mass789.20
IUPAC Name2-[3-(4-bromophenyl)phenyl]-9-[3-(9,9-diphenylfluoren-1-yl)phenyl]carbazole
SMILESBrc1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5cccc(-c6cccc7c6C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5)c4c3)c2)cc1
InChIInChI=1S/C55H36BrN/c56-44-31-28-37(29-32-44)38-14-11-15-39(34-38)40-30-33-49-48-23-8-10-27-52(48)57(53(49)36-40)45-21-12-16-41(35-45)46-24-13-25-50-47-22-7-9-26-51(47)55(54(46)50,42-17-3-1-4-18-42)43-19-5-2-6-20-43/h1-36H
InChIKeyFYLRCLJPUGYCJV-UHFFFAOYSA-N
XLogP14.91
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.80
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 90216005
2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole
CID 90216145
2-[3-(3-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole
CID 90216180
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,9,9-triphenyl-N-[4-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-3-amine
CID 118505705
2-[3-(2-bromophenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 90216183
3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 154590619
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[9-[4-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590519
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
9-[3-(2-bromo-9,9-diphenylfluoren-3-yl)phenyl]carbazole
CID 167526147
N,9,9-triphenyl-N-[2-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-3-amine
CID 118505787
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)phenyl]-9-[3-(9,9-diphenylfluoren-1-yl)phenyl]carbazole?
The IUPAC name of 2-[3-(4-bromophenyl)phenyl]-9-[3-(9,9-diphenylfluoren-1-yl)phenyl]carbazole (CID 90216135) is 2-[3-(4-bromophenyl)phenyl]-9-[3-(9,9-diphenylfluoren-1-yl)phenyl]carbazole.
What is the SMILES notation for 2-[3-(4-bromophenyl)phenyl]-9-[3-(9,9-diphenylfluoren-1-yl)phenyl]carbazole?
The canonical SMILES for 2-[3-(4-bromophenyl)phenyl]-9-[3-(9,9-diphenylfluoren-1-yl)phenyl]carbazole is Brc1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5cccc(-c6cccc7c6C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5)c4c3)c2)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)phenyl]-9-[3-(9,9-diphenylfluoren-1-yl)phenyl]carbazole?
The InChIKey is FYLRCLJPUGYCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36BrN/c56-44-31-28-37(29-32-44)38-14-11-15-39(34-38)40-30-33-49-48-23-8-10-27-52(48)57(53(49)36-40)45-21-12-16-41(35-45)46-24-13-25-50-47-22-7-9-26-51(47)55(54(46)50,42-17-3-1-4-18-42)43-19-5-2-6-20-43/h1-36H.
What are the key properties of 2-[3-(4-bromophenyl)phenyl]-9-[3-(9,9-diphenylfluoren-1-yl)phenyl]carbazole?
2-[3-(4-bromophenyl)phenyl]-9-[3-(9,9-diphenylfluoren-1-yl)phenyl]carbazole has a molecular weight of 790.80 g/mol, XLogP of 14.91, 6 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-[3-(9,9-diphenylfluoren-1-yl)phenyl]carbazole is sourced from PubChem (CID 90216135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).