9-[3-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]carbazole

C35H25N3 — CID 163429920

IUPAC9-[3-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]carbazole
SMILESCc1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C35H25N3/c1-24-20-27(22-28(21-24)38-33-18-10-8-16-29(33)30-17-9-11-19-34(30)38)35-36-31(25-12-4-2-5-13-25)23-32(37-35)26-14-6-3-7-15-26/h2-23H,1H3
InChIKeyAPPHYRBDIFBDCC-UHFFFAOYSA-N
MW487.61 g/mol
LogP8.88
Rot. Bonds4

About 9-[3-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]carbazole

9-[3-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]carbazole (PubChem CID 163429920) has the molecular formula C35H25N3 and a molecular weight of 487.61 g/mol. Its IUPAC name is 9-[3-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]carbazole
PubChem CID163429920
Molecular FormulaC35H25N3
Molecular Weight487.61 g/mol
Exact Mass487.20
IUPAC Name9-[3-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]carbazole
SMILESCc1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C35H25N3/c1-24-20-27(22-28(21-24)38-33-18-10-8-16-29(33)30-17-9-11-19-34(30)38)35-36-31(25-12-4-2-5-13-25)23-32(37-35)26-14-6-3-7-15-26/h2-23H,1H3
InChIKeyAPPHYRBDIFBDCC-UHFFFAOYSA-N
XLogP8.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.61
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 167223796
9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943730
3-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole
CID 155380099
9-[3-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole
CID 171763921
3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole;3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-9-(4-phenylphenyl)carbazole;3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole
CID 159928100
3,6-di(carbazol-9-yl)-9-[4-[2-(3-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 126730061
9-[3-carbazol-9-yl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 165000137
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole
CID 59431404
3-carbazol-9-yl-9-[4-[4-[2-(3-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 126730445
9-[3-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole
CID 167237232
9-[3-[3-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
CID 58693128
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]carbazole?
The IUPAC name of 9-[3-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]carbazole (CID 163429920) is 9-[3-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]carbazole.
What is the SMILES notation for 9-[3-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]carbazole?
The canonical SMILES for 9-[3-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]carbazole is Cc1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]carbazole?
The InChIKey is APPHYRBDIFBDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3/c1-24-20-27(22-28(21-24)38-33-18-10-8-16-29(33)30-17-9-11-19-34(30)38)35-36-31(25-12-4-2-5-13-25)23-32(37-35)26-14-6-3-7-15-26/h2-23H,1H3.
What are the key properties of 9-[3-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]carbazole?
9-[3-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]carbazole has a molecular weight of 487.61 g/mol, XLogP of 8.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]carbazole is sourced from PubChem (CID 163429920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).