2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine

C37H24N4 — CID 122487429

IUPAC2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3)c3c(n2)-c2ccccc2C3)cc1
InChIInChI=1S/C37H24N4/c1-3-11-24(12-4-1)33-30-17-9-10-18-32(30)38-36(39-33)27-21-19-25(20-22-27)34-31-23-28-15-7-8-16-29(28)35(31)41-37(40-34)26-13-5-2-6-14-26/h1-22H,23H2
InChIKeyLDYYUQLELDWKJX-UHFFFAOYSA-N
MW524.63 g/mol
LogP8.66
Rot. Bonds4

About 2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine

2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine (PubChem CID 122487429) has the molecular formula C37H24N4 and a molecular weight of 524.63 g/mol. Its IUPAC name is 2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
PubChem CID122487429
Molecular FormulaC37H24N4
Molecular Weight524.63 g/mol
Exact Mass524.20
IUPAC Name2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3)c3c(n2)-c2ccccc2C3)cc1
InChIInChI=1S/C37H24N4/c1-3-11-24(12-4-1)33-30-17-9-10-18-32(30)38-36(39-33)27-21-19-25(20-22-27)34-31-23-28-15-7-8-16-29(28)35(31)41-37(40-34)26-13-5-2-6-14-26/h1-22H,23H2
InChIKeyLDYYUQLELDWKJX-UHFFFAOYSA-N
XLogP8.66
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 144884682
4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline
CID 122487442
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
8-bromo-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine
CID 152936992
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
4-phenyl-2-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-5H-indeno[1,2-d]pyrimidine
CID 160536417
4-(4-phenyl-5H-indeno[1,2-d]pyrimidin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122469722
2-[4-(19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline
CID 118472989
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
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-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 147782401

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine?
The IUPAC name of 2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine (CID 122487429) is 2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine.
What is the SMILES notation for 2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine?
The canonical SMILES for 2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine is c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3)c3c(n2)-c2ccccc2C3)cc1.
What is the InChIKey of 2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine?
The InChIKey is LDYYUQLELDWKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4/c1-3-11-24(12-4-1)33-30-17-9-10-18-32(30)38-36(39-33)27-21-19-25(20-22-27)34-31-23-28-15-7-8-16-29(28)35(31)41-37(40-34)26-13-5-2-6-14-26/h1-22H,23H2.
What are the key properties of 2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine?
2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine has a molecular weight of 524.63 g/mol, XLogP of 8.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine is sourced from PubChem (CID 122487429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).