1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole

C42H29N3 — CID 154596791

IUPAC1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5cn(-c6ccccc6)c6ccccc56)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C42H29N3/c1-4-13-30(14-5-1)31-23-25-32(26-24-31)39-28-40(44-42(43-39)33-15-6-2-7-16-33)35-18-12-17-34(27-35)38-29-45(36-19-8-3-9-20-36)41-22-11-10-21-37(38)41/h1-29H
InChIKeySIWFWVMZSPBBQQ-UHFFFAOYSA-N
MW575.72 g/mol
LogP10.76
Rot. Bonds6

About 1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole

1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole (PubChem CID 154596791) has the molecular formula C42H29N3 and a molecular weight of 575.72 g/mol. Its IUPAC name is 1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole.

Molecular Properties

Compound Name1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole
PubChem CID154596791
Molecular FormulaC42H29N3
Molecular Weight575.72 g/mol
Exact Mass575.24
IUPAC Name1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5cn(-c6ccccc6)c6ccccc56)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C42H29N3/c1-4-13-30(14-5-1)31-23-25-32(26-24-31)39-28-40(44-42(43-39)33-15-6-2-7-16-33)35-18-12-17-34(27-35)38-29-45(36-19-8-3-9-20-36)41-22-11-10-21-37(38)41/h1-29H
InChIKeySIWFWVMZSPBBQQ-UHFFFAOYSA-N
XLogP10.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.72
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1-phenylindole
CID 154596557
9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 164822819
1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-pyridin-4-ylbenzo[e]indole
CID 154596796
9-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 118901401
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-[4-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163590019
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943231
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
2-(2-phenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 135143807
9-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]carbazole
CID 58971549

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole?
The IUPAC name of 1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole (CID 154596791) is 1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole.
What is the SMILES notation for 1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole?
The canonical SMILES for 1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole is c1ccc(-c2ccc(-c3cc(-c4cccc(-c5cn(-c6ccccc6)c6ccccc56)c4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole?
The InChIKey is SIWFWVMZSPBBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3/c1-4-13-30(14-5-1)31-23-25-32(26-24-31)39-28-40(44-42(43-39)33-15-6-2-7-16-33)35-18-12-17-34(27-35)38-29-45(36-19-8-3-9-20-36)41-22-11-10-21-37(38)41/h1-29H.
What are the key properties of 1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole?
1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole has a molecular weight of 575.72 g/mol, XLogP of 10.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole is sourced from PubChem (CID 154596791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).