9-[4-[1-(4,6-diphenylpyrimidin-2-yl)imidazol-2-yl]phenyl]carbazole

C37H25N5 — CID 90181035

IUPAC9-[4-[1-(4,6-diphenylpyrimidin-2-yl)imidazol-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3ccnc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C37H25N5/c1-3-11-26(12-4-1)32-25-33(27-13-5-2-6-14-27)40-37(39-32)41-24-23-38-36(41)28-19-21-29(22-20-28)42-34-17-9-7-15-30(34)31-16-8-10-18-35(31)42/h1-25H
InChIKeyQDSCHTZMXVGQDR-UHFFFAOYSA-N
MW539.64 g/mol
LogP8.76
Rot. Bonds5

About 9-[4-[1-(4,6-diphenylpyrimidin-2-yl)imidazol-2-yl]phenyl]carbazole

9-[4-[1-(4,6-diphenylpyrimidin-2-yl)imidazol-2-yl]phenyl]carbazole (PubChem CID 90181035) has the molecular formula C37H25N5 and a molecular weight of 539.64 g/mol. Its IUPAC name is 9-[4-[1-(4,6-diphenylpyrimidin-2-yl)imidazol-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[1-(4,6-diphenylpyrimidin-2-yl)imidazol-2-yl]phenyl]carbazole
PubChem CID90181035
Molecular FormulaC37H25N5
Molecular Weight539.64 g/mol
Exact Mass539.21
IUPAC Name9-[4-[1-(4,6-diphenylpyrimidin-2-yl)imidazol-2-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3ccnc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C37H25N5/c1-3-11-26(12-4-1)32-25-33(27-13-5-2-6-14-27)40-37(39-32)41-24-23-38-36(41)28-19-21-29(22-20-28)42-34-17-9-7-15-30(34)31-16-8-10-18-35(31)42/h1-25H
InChIKeyQDSCHTZMXVGQDR-UHFFFAOYSA-N
XLogP8.76
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(1-phenylimidazol-2-yl)phenyl]carbazole
CID 140800069
9-[4-[1-(2,4,6-triphenylphenyl)imidazol-2-yl]phenyl]carbazole
CID 140799910
9-[4-[1-(2,3,4,5,6-pentamethylphenyl)imidazol-2-yl]phenyl]carbazole
CID 140800046
7-[4-(4-phenylphenyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-b]carbazole
CID 121385422
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511118
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenylphenyl]phenyl]carbazole
CID 58943692
9-(4-carbazol-9-ylphenyl)-14-(4,6-diphenylpyrimidin-2-yl)-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 140937291
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole
CID 59431404
9-[6-(2-phenylimidazol-1-yl)-9H-fluoren-3-yl]carbazole
CID 58037505
5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 118587723
9-[4-[4-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole;9-[4-[4-[6-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158785186
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943231

Frequently Asked Questions

What is the IUPAC name of 9-[4-[1-(4,6-diphenylpyrimidin-2-yl)imidazol-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[1-(4,6-diphenylpyrimidin-2-yl)imidazol-2-yl]phenyl]carbazole (CID 90181035) is 9-[4-[1-(4,6-diphenylpyrimidin-2-yl)imidazol-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[1-(4,6-diphenylpyrimidin-2-yl)imidazol-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[1-(4,6-diphenylpyrimidin-2-yl)imidazol-2-yl]phenyl]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3ccnc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 9-[4-[1-(4,6-diphenylpyrimidin-2-yl)imidazol-2-yl]phenyl]carbazole?
The InChIKey is QDSCHTZMXVGQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N5/c1-3-11-26(12-4-1)32-25-33(27-13-5-2-6-14-27)40-37(39-32)41-24-23-38-36(41)28-19-21-29(22-20-28)42-34-17-9-7-15-30(34)31-16-8-10-18-35(31)42/h1-25H.
What are the key properties of 9-[4-[1-(4,6-diphenylpyrimidin-2-yl)imidazol-2-yl]phenyl]carbazole?
9-[4-[1-(4,6-diphenylpyrimidin-2-yl)imidazol-2-yl]phenyl]carbazole has a molecular weight of 539.64 g/mol, XLogP of 8.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[1-(4,6-diphenylpyrimidin-2-yl)imidazol-2-yl]phenyl]carbazole is sourced from PubChem (CID 90181035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).