1-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole

C34H22BrN3 — CID 118586942

IUPAC1-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole
SMILESBrc1cccc2c3ccccc3n(-c3ccc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)cc3)c12
InChIInChI=1S/C34H22BrN3/c35-30-10-7-9-29-28-8-1-2-13-33(28)38(34(29)30)27-16-14-23(15-17-27)24-20-25(31-11-3-5-18-36-31)22-26(21-24)32-12-4-6-19-37-32/h1-22H
InChIKeyIPVHKGJTXSCUSK-UHFFFAOYSA-N
MW552.48 g/mol
LogP9.34
Rot. Bonds4

About 1-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole

1-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole (PubChem CID 118586942) has the molecular formula C34H22BrN3 and a molecular weight of 552.48 g/mol. Its IUPAC name is 1-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name1-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole
PubChem CID118586942
Molecular FormulaC34H22BrN3
Molecular Weight552.48 g/mol
Exact Mass551.10
IUPAC Name1-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole
SMILESBrc1cccc2c3ccccc3n(-c3ccc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)cc3)c12
InChIInChI=1S/C34H22BrN3/c35-30-10-7-9-29-28-8-1-2-13-33(28)38(34(29)30)27-16-14-23(15-17-27)24-20-25(31-11-3-5-18-36-31)22-26(21-24)32-12-4-6-19-37-32/h1-22H
InChIKeyIPVHKGJTXSCUSK-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
1-bromo-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;1-bromo-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;1-bromo-9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole
CID 159934000
4-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;4-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole
CID 158417325
9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 88557862
18-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 163803926
2-bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole
CID 118587567
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
CID 140790246
CID 140790246
7-[9-(3,5-dipyridin-2-ylphenyl)carbazol-1-yl]-5-phenylpyrido[3,2-b]indole
CID 129221411
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
9-(3-phenyl-5-pyridin-2-ylphenyl)pyrido[2,3-b]indole
CID 158284892
9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 58500911

Frequently Asked Questions

What is the IUPAC name of 1-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole?
The IUPAC name of 1-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole (CID 118586942) is 1-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole.
What is the SMILES notation for 1-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole?
The canonical SMILES for 1-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole is Brc1cccc2c3ccccc3n(-c3ccc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)cc3)c12.
What is the InChIKey of 1-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole?
The InChIKey is IPVHKGJTXSCUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22BrN3/c35-30-10-7-9-29-28-8-1-2-13-33(28)38(34(29)30)27-16-14-23(15-17-27)24-20-25(31-11-3-5-18-36-31)22-26(21-24)32-12-4-6-19-37-32/h1-22H.
What are the key properties of 1-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole?
1-bromo-9-[4-(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 1-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 118586942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).