2-[4-(6,10-diphenylphenanthridin-4-yl)phenyl]-1,3-benzoxazole

C38H24N2O — CID 146548892

IUPAC2-[4-(6,10-diphenylphenanthridin-4-yl)phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc3c(-c4ccc(-c5nc6ccccc6o5)cc4)cccc3c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C38H24N2O/c1-3-11-25(12-4-1)29-15-9-17-31-35(29)32-18-10-16-30(37(32)40-36(31)27-13-5-2-6-14-27)26-21-23-28(24-22-26)38-39-33-19-7-8-20-34(33)41-38/h1-24H
InChIKeyIJAFEAMEEHUPTK-UHFFFAOYSA-N
MW524.62 g/mol
LogP10.20
Rot. Bonds4

About 2-[4-(6,10-diphenylphenanthridin-4-yl)phenyl]-1,3-benzoxazole

2-[4-(6,10-diphenylphenanthridin-4-yl)phenyl]-1,3-benzoxazole (PubChem CID 146548892) has the molecular formula C38H24N2O and a molecular weight of 524.62 g/mol. Its IUPAC name is 2-[4-(6,10-diphenylphenanthridin-4-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(6,10-diphenylphenanthridin-4-yl)phenyl]-1,3-benzoxazole
PubChem CID146548892
Molecular FormulaC38H24N2O
Molecular Weight524.62 g/mol
Exact Mass524.19
IUPAC Name2-[4-(6,10-diphenylphenanthridin-4-yl)phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc3c(-c4ccc(-c5nc6ccccc6o5)cc4)cccc3c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C38H24N2O/c1-3-11-25(12-4-1)29-15-9-17-31-35(29)32-18-10-16-30(37(32)40-36(31)27-13-5-2-6-14-27)26-21-23-28(24-22-26)38-39-33-19-7-8-20-34(33)41-38/h1-24H
InChIKeyIJAFEAMEEHUPTK-UHFFFAOYSA-N
XLogP10.20
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.62
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-5-[4-(10-phenylphenanthridin-6-yl)phenyl]-1,3,4-oxadiazole
CID 146548816
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 146548291
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549107
4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;6,10-diphenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,10-diphenylphenanthridine
CID 159557083
2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole
CID 67888451
2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-1-yl-2-pyridinyl]phenyl]-1,3-benzoxazole
CID 130440894
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine
CID 146548674
2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
CID 19044929
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2-phenylaniline
CID 88592158
9-[4-(1,3-benzoxazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 171754195
2-[4-[3-(4-phenanthren-9-ylphenyl)quinoxalin-2-yl]phenyl]-1,3-benzoxazole
CID 156561959
4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549222

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,10-diphenylphenanthridin-4-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-(6,10-diphenylphenanthridin-4-yl)phenyl]-1,3-benzoxazole (CID 146548892) is 2-[4-(6,10-diphenylphenanthridin-4-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(6,10-diphenylphenanthridin-4-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(6,10-diphenylphenanthridin-4-yl)phenyl]-1,3-benzoxazole is c1ccc(-c2nc3c(-c4ccc(-c5nc6ccccc6o5)cc4)cccc3c3c(-c4ccccc4)cccc23)cc1.
What is the InChIKey of 2-[4-(6,10-diphenylphenanthridin-4-yl)phenyl]-1,3-benzoxazole?
The InChIKey is IJAFEAMEEHUPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2O/c1-3-11-25(12-4-1)29-15-9-17-31-35(29)32-18-10-16-30(37(32)40-36(31)27-13-5-2-6-14-27)26-21-23-28(24-22-26)38-39-33-19-7-8-20-34(33)41-38/h1-24H.
What are the key properties of 2-[4-(6,10-diphenylphenanthridin-4-yl)phenyl]-1,3-benzoxazole?
2-[4-(6,10-diphenylphenanthridin-4-yl)phenyl]-1,3-benzoxazole has a molecular weight of 524.62 g/mol, XLogP of 10.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,10-diphenylphenanthridin-4-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 146548892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).