1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylindole

C31H23N3 — CID 121429810

IUPAC1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylindole
SMILESCc1cn(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)c2ccccc12
InChIInChI=1S/C31H23N3/c1-22-21-34(30-18-9-8-17-27(22)30)26-16-10-15-25(19-26)31-32-28(23-11-4-2-5-12-23)20-29(33-31)24-13-6-3-7-14-24/h2-21H,1H3
InChIKeyBPOCRKYKCONMIB-UHFFFAOYSA-N
MW437.55 g/mol
LogP7.73
Rot. Bonds4

About 1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylindole

1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylindole (PubChem CID 121429810) has the molecular formula C31H23N3 and a molecular weight of 437.55 g/mol. Its IUPAC name is 1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylindole.

Molecular Properties

Compound Name1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylindole
PubChem CID121429810
Molecular FormulaC31H23N3
Molecular Weight437.55 g/mol
Exact Mass437.19
IUPAC Name1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylindole
SMILESCc1cn(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)c2ccccc12
InChIInChI=1S/C31H23N3/c1-22-21-34(30-18-9-8-17-27(22)30)26-16-10-15-25(19-26)31-32-28(23-11-4-2-5-12-23)20-29(33-31)24-13-6-3-7-14-24/h2-21H,1H3
InChIKeyBPOCRKYKCONMIB-UHFFFAOYSA-N
XLogP7.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.55
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole
CID 154596791
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene
CID 122465672
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[3-(9-methylcarbazol-3-yl)phenyl]carbazole
CID 118149534
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630575
9-[3-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 118901389
9-[3-[2-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632710
9-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 118901397
9-[3-(4,6-diphenylpyrimidin-2-yl)-5-methylphenyl]carbazole
CID 163429920
9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134242078
9-[3-[4-[2-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 159741626
9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole;9-[3-[2-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 161143543
9-[3-[2-[11-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 165151617

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylindole?
The IUPAC name of 1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylindole (CID 121429810) is 1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylindole.
What is the SMILES notation for 1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylindole?
The canonical SMILES for 1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylindole is Cc1cn(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)c2ccccc12.
What is the InChIKey of 1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylindole?
The InChIKey is BPOCRKYKCONMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3/c1-22-21-34(30-18-9-8-17-27(22)30)26-16-10-15-25(19-26)31-32-28(23-11-4-2-5-12-23)20-29(33-31)24-13-6-3-7-14-24/h2-21H,1H3.
What are the key properties of 1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylindole?
1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylindole has a molecular weight of 437.55 g/mol, XLogP of 7.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylindole is sourced from PubChem (CID 121429810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).