9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole

C36H23BrN2 — CID 59413518

IUPAC9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole
SMILESBrc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C36H23BrN2/c37-26-19-17-24(18-20-26)25-21-27(38-33-13-5-1-9-29(33)30-10-2-6-14-34(30)38)23-28(22-25)39-35-15-7-3-11-31(35)32-12-4-8-16-36(32)39/h1-23H
InChIKeySPAQWVZZUYUUAX-UHFFFAOYSA-N
MW563.50 g/mol
LogP10.31
Rot. Bonds3

About 9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole

9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole (PubChem CID 59413518) has the molecular formula C36H23BrN2 and a molecular weight of 563.50 g/mol. Its IUPAC name is 9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole
PubChem CID59413518
Molecular FormulaC36H23BrN2
Molecular Weight563.50 g/mol
Exact Mass562.10
IUPAC Name9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole
SMILESBrc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C36H23BrN2/c37-26-19-17-24(18-20-26)25-21-27(38-33-13-5-1-9-29(33)30-10-2-6-14-34(30)38)23-28(22-25)39-35-15-7-3-11-31(35)32-12-4-8-16-36(32)39/h1-23H
InChIKeySPAQWVZZUYUUAX-UHFFFAOYSA-N
XLogP10.31
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.50
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 90215090
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
3-[3-(4-bromophenyl)-5-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 118289381
9-(3,5-diphenylphenyl)carbazole
CID 86068368
3-bromo-9-[3-(2-phenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole
CID 118087762
9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 161148569
4-[3-(4-bromophenyl)carbazol-9-yl]aniline
CID 59282033
2-[3-(4-bromophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;methanethiol
CID 144896905
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole?
The IUPAC name of 9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole (CID 59413518) is 9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole.
What is the SMILES notation for 9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole?
The canonical SMILES for 9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole is Brc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole?
The InChIKey is SPAQWVZZUYUUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23BrN2/c37-26-19-17-24(18-20-26)25-21-27(38-33-13-5-1-9-29(33)30-10-2-6-14-34(30)38)23-28(22-25)39-35-15-7-3-11-31(35)32-12-4-8-16-36(32)39/h1-23H.
What are the key properties of 9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole?
9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole has a molecular weight of 563.50 g/mol, XLogP of 10.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole is sourced from PubChem (CID 59413518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).