2-bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole

C34H22BrN3 — CID 118587567

IUPAC2-bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole
SMILESBrc1ccc2c3ccccc3n(-c3cccc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)c3)c2c1
InChIInChI=1S/C34H22BrN3/c35-27-14-15-30-29-10-1-2-13-33(29)38(34(30)22-27)28-9-7-8-23(21-28)24-18-25(31-11-3-5-16-36-31)20-26(19-24)32-12-4-6-17-37-32/h1-22H
InChIKeyKRFWQKNHTNFGGA-UHFFFAOYSA-N
MW552.48 g/mol
LogP9.34
Rot. Bonds4

About 2-bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole

2-bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole (PubChem CID 118587567) has the molecular formula C34H22BrN3 and a molecular weight of 552.48 g/mol. Its IUPAC name is 2-bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name2-bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole
PubChem CID118587567
Molecular FormulaC34H22BrN3
Molecular Weight552.48 g/mol
Exact Mass551.10
IUPAC Name2-bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole
SMILESBrc1ccc2c3ccccc3n(-c3cccc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)c3)c2c1
InChIInChI=1S/C34H22BrN3/c35-27-14-15-30-29-10-1-2-13-33(29)38(34(30)22-27)28-9-7-8-23(21-28)24-18-25(31-11-3-5-16-36-31)20-26(19-24)32-12-4-6-17-37-32/h1-22H
InChIKeyKRFWQKNHTNFGGA-UHFFFAOYSA-N
XLogP9.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.48
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole
CID 118587038
2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 134252122
2-bromo-9-(3-phenylphenyl)carbazole
CID 118242889
7-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 129221946
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
2-[4-(4-phenylphenyl)-2-pyridinyl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 140825608
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane
CID 144541414
8-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 129221984
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
2-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;2-bromo-9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole;2-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 161315478
9,14-bis(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118504672
9-(3,5-dipyridin-2-ylphenyl)-7-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221618

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole?
The IUPAC name of 2-bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole (CID 118587567) is 2-bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole.
What is the SMILES notation for 2-bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole?
The canonical SMILES for 2-bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole is Brc1ccc2c3ccccc3n(-c3cccc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)c3)c2c1.
What is the InChIKey of 2-bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole?
The InChIKey is KRFWQKNHTNFGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22BrN3/c35-27-14-15-30-29-10-1-2-13-33(29)38(34(30)22-27)28-9-7-8-23(21-28)24-18-25(31-11-3-5-16-36-31)20-26(19-24)32-12-4-6-17-37-32/h1-22H.
What are the key properties of 2-bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole?
2-bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole has a molecular weight of 552.48 g/mol, XLogP of 9.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 118587567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).