10-(3-benzo[c]phenanthren-5-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole

C45H27NO — CID 146330210

IUPAC10-(3-benzo[c]phenanthren-5-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4ccc5ccc(-c6cccc(-c7cc8ccc9ccccc9c8c8ccccc78)c6)cc5c4c3o2)cc1
InChIInChI=1S/C45H27NO/c1-2-10-31(11-3-1)45-46-41-24-23-30-20-17-29-18-21-33(26-40(29)43(30)44(41)47-45)32-12-8-13-34(25-32)39-27-35-22-19-28-9-4-5-14-36(28)42(35)38-16-7-6-15-37(38)39/h1-27H
InChIKeyFYGXHIUKIASMGO-UHFFFAOYSA-N
MW597.72 g/mol
LogP12.59
Rot. Bonds3

About 10-(3-benzo[c]phenanthren-5-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole

10-(3-benzo[c]phenanthren-5-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole (PubChem CID 146330210) has the molecular formula C45H27NO and a molecular weight of 597.72 g/mol. Its IUPAC name is 10-(3-benzo[c]phenanthren-5-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Name10-(3-benzo[c]phenanthren-5-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
PubChem CID146330210
Molecular FormulaC45H27NO
Molecular Weight597.72 g/mol
Exact Mass597.21
IUPAC Name10-(3-benzo[c]phenanthren-5-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4ccc5ccc(-c6cccc(-c7cc8ccc9ccccc9c8c8ccccc78)c6)cc5c4c3o2)cc1
InChIInChI=1S/C45H27NO/c1-2-10-31(11-3-1)45-46-41-24-23-30-20-17-29-18-21-33(26-40(29)43(30)44(41)47-45)32-12-8-13-34(25-32)39-27-35-22-19-28-9-4-5-14-36(28)42(35)38-16-7-6-15-37(38)39/h1-27H
InChIKeyFYGXHIUKIASMGO-UHFFFAOYSA-N
XLogP12.59
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.72
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-(3-benzo[c]phenanthren-5-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole
CID 153302163
2-phenyl-10-[2-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[3-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole
CID 161086065
2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164758486
2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164955263
9-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 164840414
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 134365347
N,2-diphenyl-7-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112677
2-phenyl-10-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164840444
9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 164840439
9-(3-phenanthren-9-ylphenyl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole
CID 153302153
N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline
CID 154030880
10-benzo[c]phenanthren-5-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazole;10-chrysen-6-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazole;10-(11,11-dimethylbenzo[b]fluoren-5-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;10-phenanthren-9-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 165095256

Frequently Asked Questions

What is the IUPAC name of 10-(3-benzo[c]phenanthren-5-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?
The IUPAC name of 10-(3-benzo[c]phenanthren-5-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole (CID 146330210) is 10-(3-benzo[c]phenanthren-5-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole.
What is the SMILES notation for 10-(3-benzo[c]phenanthren-5-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?
The canonical SMILES for 10-(3-benzo[c]phenanthren-5-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole is c1ccc(-c2nc3ccc4ccc5ccc(-c6cccc(-c7cc8ccc9ccccc9c8c8ccccc78)c6)cc5c4c3o2)cc1.
What is the InChIKey of 10-(3-benzo[c]phenanthren-5-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?
The InChIKey is FYGXHIUKIASMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27NO/c1-2-10-31(11-3-1)45-46-41-24-23-30-20-17-29-18-21-33(26-40(29)43(30)44(41)47-45)32-12-8-13-34(25-32)39-27-35-22-19-28-9-4-5-14-36(28)42(35)38-16-7-6-15-37(38)39/h1-27H.
What are the key properties of 10-(3-benzo[c]phenanthren-5-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?
10-(3-benzo[c]phenanthren-5-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole has a molecular weight of 597.72 g/mol, XLogP of 12.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-benzo[c]phenanthren-5-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 146330210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).