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

C49H32BrN — CID 90216180

IUPAC2-[3-(3-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole
SMILESBrc1cccc(-c2cccc(-c3ccc4c5ccccc5n(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4c3)c2)c1
InChIInChI=1S/C49H32BrN/c50-39-21-12-16-35(31-39)33-14-11-15-34(30-33)36-28-29-42-41-23-8-10-26-45(41)51(47(42)32-36)46-27-13-24-43-40-22-7-9-25-44(40)49(48(43)46,37-17-3-1-4-18-37)38-19-5-2-6-20-38/h1-32H
InChIKeyQQFKSQVOWXJBDQ-UHFFFAOYSA-N
MW714.71 g/mol
LogP13.24
Rot. Bonds5

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

2-[3-(3-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole (PubChem CID 90216180) has the molecular formula C49H32BrN and a molecular weight of 714.71 g/mol. Its IUPAC name is 2-[3-(3-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole.

Molecular Properties

Compound Name2-[3-(3-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole
PubChem CID90216180
Molecular FormulaC49H32BrN
Molecular Weight714.71 g/mol
Exact Mass713.17
IUPAC Name2-[3-(3-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole
SMILESBrc1cccc(-c2cccc(-c3ccc4c5ccccc5n(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4c3)c2)c1
InChIInChI=1S/C49H32BrN/c50-39-21-12-16-35(31-39)33-14-11-15-34(30-33)36-28-29-42-41-23-8-10-26-45(41)51(47(42)32-36)46-27-13-24-43-40-22-7-9-25-44(40)49(48(43)46,37-17-3-1-4-18-37)38-19-5-2-6-20-38/h1-32H
InChIKeyQQFKSQVOWXJBDQ-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

2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole
CID 90216145
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
2-[3-(4-bromophenyl)phenyl]-9-[3-(9,9-diphenylfluoren-1-yl)phenyl]carbazole
CID 90216135
3-[9-(9,9-diphenylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118449506
2-(3-bromophenyl)-9-(9,9-dimethylfluoren-1-yl)-6-phenylcarbazole
CID 118505946
2-[2-[9-(9,9-diphenylfluoren-1-yl)carbazol-2-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118337373
2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 90216005
3-[9-[4-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[2-[4-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-[3-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-[4-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161306862
3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118349359
2-(9-phenylcarbazol-3-yl)-9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole;3-[9-[3-(9-phenylfluoren-9-yl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-[2-(9-phenylfluoren-9-yl)phenyl]carbazole
CID 159900613
2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-3-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-4-yl)carbazole;2-[3-(2-bromophenyl)phenyl]-9-[4-(9,9-diphenylfluoren-4-yl)phenyl]carbazole
CID 158943768
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[9-[2-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590571

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole?
The IUPAC name of 2-[3-(3-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole (CID 90216180) is 2-[3-(3-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole.
What is the SMILES notation for 2-[3-(3-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole?
The canonical SMILES for 2-[3-(3-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole is Brc1cccc(-c2cccc(-c3ccc4c5ccccc5n(-c5cccc6c5C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4c3)c2)c1.
What is the InChIKey of 2-[3-(3-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole?
The InChIKey is QQFKSQVOWXJBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32BrN/c50-39-21-12-16-35(31-39)33-14-11-15-34(30-33)36-28-29-42-41-23-8-10-26-45(41)51(47(42)32-36)46-27-13-24-43-40-22-7-9-25-44(40)49(48(43)46,37-17-3-1-4-18-37)38-19-5-2-6-20-38/h1-32H.
What are the key properties of 2-[3-(3-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole?
2-[3-(3-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-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-(3-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole is sourced from PubChem (CID 90216180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).