4-phenyl-6-(3-phenylphenyl)-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)pyrimidine

C37H26N2 — CID 170722297

IUPAC4-phenyl-6-(3-phenylphenyl)-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(C45CC(c6ccccc64)c4ccccc45)n3)c2)cc1
InChIInChI=1S/C37H26N2/c1-3-12-25(13-4-1)27-16-11-17-28(22-27)35-23-34(26-14-5-2-6-15-26)38-36(39-35)37-24-31(29-18-7-9-20-32(29)37)30-19-8-10-21-33(30)37/h1-23,31H,24H2
InChIKeyPKFPFYANSSPWKW-UHFFFAOYSA-N
MW498.63 g/mol
LogP8.66
Rot. Bonds4

About 4-phenyl-6-(3-phenylphenyl)-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)pyrimidine

4-phenyl-6-(3-phenylphenyl)-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)pyrimidine (PubChem CID 170722297) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 4-phenyl-6-(3-phenylphenyl)-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)pyrimidine.

Molecular Properties

Compound Name4-phenyl-6-(3-phenylphenyl)-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)pyrimidine
PubChem CID170722297
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC Name4-phenyl-6-(3-phenylphenyl)-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(C45CC(c6ccccc64)c4ccccc45)n3)c2)cc1
InChIInChI=1S/C37H26N2/c1-3-12-25(13-4-1)27-16-11-17-28(22-27)35-23-34(26-14-5-2-6-15-26)38-36(39-35)37-24-31(29-18-7-9-20-32(29)37)30-19-8-10-21-33(30)37/h1-23,31H,24H2
InChIKeyPKFPFYANSSPWKW-UHFFFAOYSA-N
XLogP8.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-6-(3-phenylphenyl)-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)pyrimidine with MolForge

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Related Compounds

2,4-diphenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine
CID 170722326
2-naphthalen-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine
CID 170722250
2-(8-methyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-4,6-bis(3-phenylphenyl)pyrimidine
CID 174263156
2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614371
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146632493
2-dibenzofuran-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine
CID 170722266
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;bis(2,4-diphenyl-6-[4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine)
CID 163726860
2,4-diphenyl-6-[3-[3-[6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154613882
2-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 165105131
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 121450582
2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 161308623

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-(3-phenylphenyl)-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)pyrimidine?
The IUPAC name of 4-phenyl-6-(3-phenylphenyl)-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)pyrimidine (CID 170722297) is 4-phenyl-6-(3-phenylphenyl)-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)pyrimidine.
What is the SMILES notation for 4-phenyl-6-(3-phenylphenyl)-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)pyrimidine?
The canonical SMILES for 4-phenyl-6-(3-phenylphenyl)-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)pyrimidine is c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(C45CC(c6ccccc64)c4ccccc45)n3)c2)cc1.
What is the InChIKey of 4-phenyl-6-(3-phenylphenyl)-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)pyrimidine?
The InChIKey is PKFPFYANSSPWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2/c1-3-12-25(13-4-1)27-16-11-17-28(22-27)35-23-34(26-14-5-2-6-15-26)38-36(39-35)37-24-31(29-18-7-9-20-32(29)37)30-19-8-10-21-33(30)37/h1-23,31H,24H2.
What are the key properties of 4-phenyl-6-(3-phenylphenyl)-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)pyrimidine?
4-phenyl-6-(3-phenylphenyl)-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)pyrimidine has a molecular weight of 498.63 g/mol, XLogP of 8.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-(3-phenylphenyl)-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)pyrimidine is sourced from PubChem (CID 170722297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).