4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[4-[4-(1H-pyrrol-2-yl)phenyl]phenyl]pyrimidine

C42H29N3 — CID 146382699

IUPAC4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[4-[4-(1H-pyrrol-2-yl)phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccc[nH]6)cc5)cc4)cc(-c4ccc5ccccc5c4)n3)cc2)cc1
InChIInChI=1S/C42H29N3/c1-2-7-29(8-3-1)31-16-23-36(24-17-31)42-44-40(28-41(45-42)38-25-18-30-9-4-5-10-37(30)27-38)35-21-14-33(15-22-35)32-12-19-34(20-13-32)39-11-6-26-43-39/h1-28,43H
InChIKeyGDVQGQDEOYVRRN-UHFFFAOYSA-N
MW575.72 g/mol
LogP10.96
Rot. Bonds6

About 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[4-[4-(1H-pyrrol-2-yl)phenyl]phenyl]pyrimidine

4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[4-[4-(1H-pyrrol-2-yl)phenyl]phenyl]pyrimidine (PubChem CID 146382699) has the molecular formula C42H29N3 and a molecular weight of 575.72 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[4-[4-(1H-pyrrol-2-yl)phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[4-[4-(1H-pyrrol-2-yl)phenyl]phenyl]pyrimidine
PubChem CID146382699
Molecular FormulaC42H29N3
Molecular Weight575.72 g/mol
Exact Mass575.24
IUPAC Name4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[4-[4-(1H-pyrrol-2-yl)phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccc[nH]6)cc5)cc4)cc(-c4ccc5ccccc5c4)n3)cc2)cc1
InChIInChI=1S/C42H29N3/c1-2-7-29(8-3-1)31-16-23-36(24-17-31)42-44-40(28-41(45-42)38-25-18-30-9-4-5-10-37(30)27-38)35-21-14-33(15-22-35)32-12-19-34(20-13-32)39-11-6-26-43-39/h1-28,43H
InChIKeyGDVQGQDEOYVRRN-UHFFFAOYSA-N
XLogP10.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.72
LogP ≤ 510.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
CID 70936394
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 118133256
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 154613695
2-[3-(2,6-diphenyl-4-pyridinyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4,6-diphenyl-2-pyridinyl)-5-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine;4-[3-(4,6-diphenyl-2-pyridinyl)-5-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 158243119
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-[4-[7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121258095
2-(6-phenylnaphthalen-2-yl)-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 170219577
2-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 153244283
3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
CID 118543537
4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 157079561
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[4-[4-(1H-pyrrol-2-yl)phenyl]phenyl]pyrimidine?
The IUPAC name of 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[4-[4-(1H-pyrrol-2-yl)phenyl]phenyl]pyrimidine (CID 146382699) is 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[4-[4-(1H-pyrrol-2-yl)phenyl]phenyl]pyrimidine.
What is the SMILES notation for 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[4-[4-(1H-pyrrol-2-yl)phenyl]phenyl]pyrimidine?
The canonical SMILES for 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[4-[4-(1H-pyrrol-2-yl)phenyl]phenyl]pyrimidine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccc[nH]6)cc5)cc4)cc(-c4ccc5ccccc5c4)n3)cc2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[4-[4-(1H-pyrrol-2-yl)phenyl]phenyl]pyrimidine?
The InChIKey is GDVQGQDEOYVRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3/c1-2-7-29(8-3-1)31-16-23-36(24-17-31)42-44-40(28-41(45-42)38-25-18-30-9-4-5-10-37(30)27-38)35-21-14-33(15-22-35)32-12-19-34(20-13-32)39-11-6-26-43-39/h1-28,43H.
What are the key properties of 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[4-[4-(1H-pyrrol-2-yl)phenyl]phenyl]pyrimidine?
4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[4-[4-(1H-pyrrol-2-yl)phenyl]phenyl]pyrimidine has a molecular weight of 575.72 g/mol, XLogP of 10.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[4-[4-(1H-pyrrol-2-yl)phenyl]phenyl]pyrimidine is sourced from PubChem (CID 146382699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).