4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline

C46H30N4 — CID 118641165

IUPAC4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline
SMILESc1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C46H30N4/c1-4-14-31(15-5-1)36-28-29-39(38-21-11-10-20-37(36)38)46-48-42(32-16-6-2-7-17-32)30-43(49-46)33-24-26-35(27-25-33)45-47-41-23-13-12-22-40(41)44(50-45)34-18-8-3-9-19-34/h1-30H
InChIKeyCLWCAFRDSIICQH-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.57
Rot. Bonds6

About 4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline

4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline (PubChem CID 118641165) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline.

Molecular Properties

Compound Name4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline
PubChem CID118641165
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline
SMILESc1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C46H30N4/c1-4-14-31(15-5-1)36-28-29-39(38-21-11-10-20-37(36)38)46-48-42(32-16-6-2-7-17-32)30-43(49-46)33-24-26-35(27-25-33)45-47-41-23-13-12-22-40(41)44(50-45)34-18-8-3-9-19-34/h1-30H
InChIKeyCLWCAFRDSIICQH-UHFFFAOYSA-N
XLogP11.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[4-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 155283530
2-[4-(2-phenanthren-9-yl-6-phenylpyrimidin-4-yl)phenyl]-4-(3-phenylphenyl)quinazoline
CID 118641260
10-phenyl-6-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenanthridine
CID 146548512
4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 147782401
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 163760027
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
4-[4-[4-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 163817234
2-[4-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)naphthalen-1-yl]phenyl]-4-phenylquinazoline
CID 167410894
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
4-phenyl-2-[2-phenyl-6-[11-[2-phenyl-6-(4-phenylquinazolin-2-yl)pyrimidin-4-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]pyrimidin-4-yl]quinazoline
CID 165150968
4-phenyl-2-[6-phenyl-2-[11-[4-phenyl-6-(4-phenylquinazolin-2-yl)pyrimidin-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]pyrimidin-4-yl]quinazoline
CID 165150903

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline?
The IUPAC name of 4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline (CID 118641165) is 4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline.
What is the SMILES notation for 4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline?
The canonical SMILES for 4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline is c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1.
What is the InChIKey of 4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline?
The InChIKey is CLWCAFRDSIICQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-4-14-31(15-5-1)36-28-29-39(38-21-11-10-20-37(36)38)46-48-42(32-16-6-2-7-17-32)30-43(49-46)33-24-26-35(27-25-33)45-47-41-23-13-12-22-40(41)44(50-45)34-18-8-3-9-19-34/h1-30H.
What are the key properties of 4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline?
4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline has a molecular weight of 638.77 g/mol, XLogP of 11.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline is sourced from PubChem (CID 118641165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).