10-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole

C37H29N3O — CID 126614349

IUPAC10-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
SMILESC1=C(c2ccccc2)NC(c2ccc3ccc4ccc5c(c4c3c2)OC(c2ccccc2)N5)NC1c1ccccc1
InChIInChI=1S/C37H29N3O/c1-4-10-25(11-5-1)32-23-33(26-12-6-2-7-13-26)39-36(38-32)29-19-17-24-16-18-27-20-21-31-35(34(27)30(24)22-29)41-37(40-31)28-14-8-3-9-15-28/h1-23,32,36-40H
InChIKeyOCSQINSPILCLDD-UHFFFAOYSA-N
MW531.66 g/mol
LogP8.47
Rot. Bonds4

About 10-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole

10-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole (PubChem CID 126614349) has the molecular formula C37H29N3O and a molecular weight of 531.66 g/mol. Its IUPAC name is 10-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Name10-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
PubChem CID126614349
Molecular FormulaC37H29N3O
Molecular Weight531.66 g/mol
Exact Mass531.23
IUPAC Name10-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
SMILESC1=C(c2ccccc2)NC(c2ccc3ccc4ccc5c(c4c3c2)OC(c2ccccc2)N5)NC1c1ccccc1
InChIInChI=1S/C37H29N3O/c1-4-10-25(11-5-1)32-23-33(26-12-6-2-7-13-26)39-36(38-32)29-19-17-24-16-18-27-20-21-31-35(34(27)30(24)22-29)41-37(40-31)28-14-8-3-9-15-28/h1-23,32,36-40H
InChIKeyOCSQINSPILCLDD-UHFFFAOYSA-N
XLogP8.47
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.66
LogP ≤ 58.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 126614519
10-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 129095246
2-phenyl-10-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 134401083
2-phenyl-9-(10-phenylanthracen-9-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 166990862
9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 126614201
4-chrysen-2-yl-2-phenyl-6-[4-(7-phenylbenzo[a]anthracen-12-yl)phenyl]-1,2,3,4-tetrahydropyrimidine
CID 167250407
2-phenyl-10-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 146330041
1-methyl-9-(4-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenyl-2H-naphtho[1,2-e][1,3]benzoxazole
CID 126614478
2,3-diphenyl-9-[6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-2-yl]-1,2-dihydronaphtho[1,2-e]benzimidazole
CID 126614462
2-[1-[4-(2,6-diphenyl-1,2,3,4-tetrahydropyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazinane
CID 129099634
4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-phenyl-1,2,3,4-tetrahydropyrimidine
CID 90274181
9-[3-(6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135162777

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
The IUPAC name of 10-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole (CID 126614349) is 10-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole.
What is the SMILES notation for 10-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
The canonical SMILES for 10-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole is C1=C(c2ccccc2)NC(c2ccc3ccc4ccc5c(c4c3c2)OC(c2ccccc2)N5)NC1c1ccccc1.
What is the InChIKey of 10-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
The InChIKey is OCSQINSPILCLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N3O/c1-4-10-25(11-5-1)32-23-33(26-12-6-2-7-13-26)39-36(38-32)29-19-17-24-16-18-27-20-21-31-35(34(27)30(24)22-29)41-37(40-31)28-14-8-3-9-15-28/h1-23,32,36-40H.
What are the key properties of 10-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
10-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole has a molecular weight of 531.66 g/mol, XLogP of 8.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 126614349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).