9-(4,6-diphenylpyrimidin-2-yl)-2-methyl-6-phenyl-1,2-dihydrocarbazole

C35H27N3 — CID 145390737

IUPAC9-(4,6-diphenylpyrimidin-2-yl)-2-methyl-6-phenyl-1,2-dihydrocarbazole
SMILESCC1C=Cc2c(n(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c3ccc(-c4ccccc4)cc23)C1
InChIInChI=1S/C35H27N3/c1-24-17-19-29-30-22-28(25-11-5-2-6-12-25)18-20-33(30)38(34(29)21-24)35-36-31(26-13-7-3-8-14-26)23-32(37-35)27-15-9-4-10-16-27/h2-20,22-24H,21H2,1H3
InChIKeyKRIPXXPHHBACQY-UHFFFAOYSA-N
MW489.62 g/mol
LogP8.63
Rot. Bonds4

About 9-(4,6-diphenylpyrimidin-2-yl)-2-methyl-6-phenyl-1,2-dihydrocarbazole

9-(4,6-diphenylpyrimidin-2-yl)-2-methyl-6-phenyl-1,2-dihydrocarbazole (PubChem CID 145390737) has the molecular formula C35H27N3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 9-(4,6-diphenylpyrimidin-2-yl)-2-methyl-6-phenyl-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-(4,6-diphenylpyrimidin-2-yl)-2-methyl-6-phenyl-1,2-dihydrocarbazole
PubChem CID145390737
Molecular FormulaC35H27N3
Molecular Weight489.62 g/mol
Exact Mass489.22
IUPAC Name9-(4,6-diphenylpyrimidin-2-yl)-2-methyl-6-phenyl-1,2-dihydrocarbazole
SMILESCC1C=Cc2c(n(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c3ccc(-c4ccccc4)cc23)C1
InChIInChI=1S/C35H27N3/c1-24-17-19-29-30-22-28(25-11-5-2-6-12-25)18-20-33(30)38(34(29)21-24)35-36-31(26-13-7-3-8-14-26)23-32(37-35)27-15-9-4-10-16-27/h2-20,22-24H,21H2,1H3
InChIKeyKRIPXXPHHBACQY-UHFFFAOYSA-N
XLogP8.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-(1,2-dihydrocarbazol-9-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2-methyl-1,2-dihydrocarbazole
CID 146321185
9-(4,6-diphenylpyrimidin-2-yl)-3,6-bis(3-phenylphenyl)carbazole
CID 123639414
3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159168669
3-dibenzofuran-2-yl-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole
CID 163626219
5-(2,6-diphenylpyrimidin-4-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-1,2-dihydro-[1]benzofuro[2,3-a]carbazole
CID 126656553
10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118517558
15-[2-methyl-6-(5-phenylbenzo[b]carbazol-2-yl)-1,2-dihydrocarbazol-9-yl]-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 139539156
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511118
4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 118506873
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170137926
3-[2-(3,6-dimethyl-3,4-dihydrocarbazol-9-yl)-6-phenylpyrimidin-4-yl]benzonitrile
CID 163447790
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-5,6-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 89431253

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenylpyrimidin-2-yl)-2-methyl-6-phenyl-1,2-dihydrocarbazole?
The IUPAC name of 9-(4,6-diphenylpyrimidin-2-yl)-2-methyl-6-phenyl-1,2-dihydrocarbazole (CID 145390737) is 9-(4,6-diphenylpyrimidin-2-yl)-2-methyl-6-phenyl-1,2-dihydrocarbazole.
What is the SMILES notation for 9-(4,6-diphenylpyrimidin-2-yl)-2-methyl-6-phenyl-1,2-dihydrocarbazole?
The canonical SMILES for 9-(4,6-diphenylpyrimidin-2-yl)-2-methyl-6-phenyl-1,2-dihydrocarbazole is CC1C=Cc2c(n(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c3ccc(-c4ccccc4)cc23)C1.
What is the InChIKey of 9-(4,6-diphenylpyrimidin-2-yl)-2-methyl-6-phenyl-1,2-dihydrocarbazole?
The InChIKey is KRIPXXPHHBACQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N3/c1-24-17-19-29-30-22-28(25-11-5-2-6-12-25)18-20-33(30)38(34(29)21-24)35-36-31(26-13-7-3-8-14-26)23-32(37-35)27-15-9-4-10-16-27/h2-20,22-24H,21H2,1H3.
What are the key properties of 9-(4,6-diphenylpyrimidin-2-yl)-2-methyl-6-phenyl-1,2-dihydrocarbazole?
9-(4,6-diphenylpyrimidin-2-yl)-2-methyl-6-phenyl-1,2-dihydrocarbazole has a molecular weight of 489.62 g/mol, XLogP of 8.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenylpyrimidin-2-yl)-2-methyl-6-phenyl-1,2-dihydrocarbazole is sourced from PubChem (CID 145390737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).