(4R)-2-[5-[4-(1,2-dihydropyridin-6-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-4,5-dihydropyrimidine

C37H29N3 — CID 134444970

IUPAC(4R)-2-[5-[4-(1,2-dihydropyridin-6-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-4,5-dihydropyrimidine
SMILESC1=CCNC(c2ccc(-c3cccc4cc(C5=N[C@@H](c6ccccc6)CC(c6ccccc6)=N5)ccc34)cc2)=C1
InChIInChI=1S/C37H29N3/c1-3-10-27(11-4-1)35-25-36(28-12-5-2-6-13-28)40-37(39-35)31-21-22-33-30(24-31)14-9-15-32(33)26-17-19-29(20-18-26)34-16-7-8-23-38-34/h1-22,24,35,38H,23,25H2/t35-/m1/s1
InChIKeyIUPYOOVUNYUFKC-PGUFJCEWSA-N
MW515.66 g/mol
LogP8.39
Rot. Bonds5

About (4R)-2-[5-[4-(1,2-dihydropyridin-6-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-4,5-dihydropyrimidine

(4R)-2-[5-[4-(1,2-dihydropyridin-6-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-4,5-dihydropyrimidine (PubChem CID 134444970) has the molecular formula C37H29N3 and a molecular weight of 515.66 g/mol. Its IUPAC name is (4R)-2-[5-[4-(1,2-dihydropyridin-6-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-4,5-dihydropyrimidine.

Molecular Properties

Compound Name(4R)-2-[5-[4-(1,2-dihydropyridin-6-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-4,5-dihydropyrimidine
PubChem CID134444970
Molecular FormulaC37H29N3
Molecular Weight515.66 g/mol
Exact Mass515.24
IUPAC Name(4R)-2-[5-[4-(1,2-dihydropyridin-6-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-4,5-dihydropyrimidine
SMILESC1=CCNC(c2ccc(-c3cccc4cc(C5=N[C@@H](c6ccccc6)CC(c6ccccc6)=N5)ccc34)cc2)=C1
InChIInChI=1S/C37H29N3/c1-3-10-27(11-4-1)35-25-36(28-12-5-2-6-13-28)40-37(39-35)31-21-22-33-30(24-31)14-9-15-32(33)26-17-19-29(20-18-26)34-16-7-8-23-38-34/h1-22,24,35,38H,23,25H2/t35-/m1/s1
InChIKeyIUPYOOVUNYUFKC-PGUFJCEWSA-N
XLogP8.39
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.66
LogP ≤ 58.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2,4-diphenyl-6-[4-(7-triphenylen-2-yldibenzothiophen-3-yl)phenyl]-4,5-dihydropyrimidine
CID 155002298
6-[4-[3-(2,6-diphenyl-4,5-dihydropyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline
CID 154953159
2-[4-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenyl-4,5-dihydropyrimidine
CID 166679320
2-[3-anthracen-2-yl-5-(1,2-dihydropyridin-6-yl)phenyl]-4,6-diphenyl-1,2-dihydropyrimidine
CID 118363110
4-[3-[2-(4-dibenzofuran-4-ylphenyl)-6-phenanthren-9-yl-4,5-dihydropyrimidin-4-yl]phenyl]isoquinoline
CID 163663580
2-[3-[4-(1,2-dihydropyridin-6-yl)phenyl]-5-pyren-4-ylphenyl]-4,6-diphenyl-1,2-dihydropyrimidine
CID 118363115
9-[9-(2,4-dinaphthalen-2-yl-4,5-dihydropyrimidin-6-yl)dibenzofuran-3-yl]-4-phenylcarbazole
CID 166670175
2-phenyl-6-(6-phenylnaphthalen-1-yl)-4-[2-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazine
CID 174322101
2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine
CID 118075155
2-[4-[3-[3,5-di(fluoranthen-3-yl)phenyl]-5-[4-(1,2-dihydropyridin-6-yl)phenyl]phenyl]phenyl]-1,2-dihydropyridine
CID 126746545
1-[4-[4,6-di(phenanthren-9-yl)-4,5-dihydropyrimidin-2-yl]phenyl]isoquinoline
CID 139334534
4-[3-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 121338959

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[5-[4-(1,2-dihydropyridin-6-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-4,5-dihydropyrimidine?
The IUPAC name of (4R)-2-[5-[4-(1,2-dihydropyridin-6-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-4,5-dihydropyrimidine (CID 134444970) is (4R)-2-[5-[4-(1,2-dihydropyridin-6-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-4,5-dihydropyrimidine.
What is the SMILES notation for (4R)-2-[5-[4-(1,2-dihydropyridin-6-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-4,5-dihydropyrimidine?
The canonical SMILES for (4R)-2-[5-[4-(1,2-dihydropyridin-6-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-4,5-dihydropyrimidine is C1=CCNC(c2ccc(-c3cccc4cc(C5=N[C@@H](c6ccccc6)CC(c6ccccc6)=N5)ccc34)cc2)=C1.
What is the InChIKey of (4R)-2-[5-[4-(1,2-dihydropyridin-6-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-4,5-dihydropyrimidine?
The InChIKey is IUPYOOVUNYUFKC-PGUFJCEWSA-N. The full InChI is InChI=1S/C37H29N3/c1-3-10-27(11-4-1)35-25-36(28-12-5-2-6-13-28)40-37(39-35)31-21-22-33-30(24-31)14-9-15-32(33)26-17-19-29(20-18-26)34-16-7-8-23-38-34/h1-22,24,35,38H,23,25H2/t35-/m1/s1.
What are the key properties of (4R)-2-[5-[4-(1,2-dihydropyridin-6-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-4,5-dihydropyrimidine?
(4R)-2-[5-[4-(1,2-dihydropyridin-6-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-4,5-dihydropyrimidine has a molecular weight of 515.66 g/mol, XLogP of 8.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[5-[4-(1,2-dihydropyridin-6-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-4,5-dihydropyrimidine is sourced from PubChem (CID 134444970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).