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

C44H26N2O — CID 153302163

IUPAC10-(3-benzo[c]phenanthren-5-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4ccc5ccc(-c6cccc(-c7cc8ccc9ccccc9c8c8ccccc78)c6)cc5c4c3o2)nc1
InChIInChI=1S/C44H26N2O/c1-2-11-34-27(8-1)17-20-33-26-37(35-12-3-4-13-36(35)41(33)34)32-10-7-9-30(24-32)31-19-16-28-15-18-29-21-22-39-43(42(29)38(28)25-31)47-44(46-39)40-14-5-6-23-45-40/h1-26H
InChIKeyOXAYSYRGMXRQPI-UHFFFAOYSA-N
MW598.71 g/mol
LogP11.99
Rot. Bonds3

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

10-(3-benzo[c]phenanthren-5-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole (PubChem CID 153302163) has the molecular formula C44H26N2O and a molecular weight of 598.71 g/mol. Its IUPAC name is 10-(3-benzo[c]phenanthren-5-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Name10-(3-benzo[c]phenanthren-5-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole
PubChem CID153302163
Molecular FormulaC44H26N2O
Molecular Weight598.71 g/mol
Exact Mass598.20
IUPAC Name10-(3-benzo[c]phenanthren-5-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4ccc5ccc(-c6cccc(-c7cc8ccc9ccccc9c8c8ccccc78)c6)cc5c4c3o2)nc1
InChIInChI=1S/C44H26N2O/c1-2-11-34-27(8-1)17-20-33-26-37(35-12-3-4-13-36(35)41(33)34)32-10-7-9-30(24-32)31-19-16-28-15-18-29-21-22-39-43(42(29)38(28)25-31)47-44(46-39)40-14-5-6-23-45-40/h1-26H
InChIKeyOXAYSYRGMXRQPI-UHFFFAOYSA-N
XLogP11.99
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.71
LogP ≤ 511.99
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

10-(3-benzo[c]phenanthren-5-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 146330210
9-(3-phenanthren-9-ylphenyl)-2-quinolin-6-ylnaphtho[2,1-g][1,3]benzoxazole
CID 153302153
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
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[g][1,3]benzoxazole
CID 158655518
10-(3-chrysen-6-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole;10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-quinolin-4-ylnaphtho[2,1-g][1,3]benzoxazole;10-(4-fluoranthen-3-ylnaphthalen-2-yl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole
CID 160824894
5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58037147
6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole
CID 149428077

Frequently Asked Questions

What is the IUPAC name of 10-(3-benzo[c]phenanthren-5-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole?
The IUPAC name of 10-(3-benzo[c]phenanthren-5-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole (CID 153302163) is 10-(3-benzo[c]phenanthren-5-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole.
What is the SMILES notation for 10-(3-benzo[c]phenanthren-5-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole?
The canonical SMILES for 10-(3-benzo[c]phenanthren-5-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole is c1ccc(-c2nc3ccc4ccc5ccc(-c6cccc(-c7cc8ccc9ccccc9c8c8ccccc78)c6)cc5c4c3o2)nc1.
What is the InChIKey of 10-(3-benzo[c]phenanthren-5-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole?
The InChIKey is OXAYSYRGMXRQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2O/c1-2-11-34-27(8-1)17-20-33-26-37(35-12-3-4-13-36(35)41(33)34)32-10-7-9-30(24-32)31-19-16-28-15-18-29-21-22-39-43(42(29)38(28)25-31)47-44(46-39)40-14-5-6-23-45-40/h1-26H.
What are the key properties of 10-(3-benzo[c]phenanthren-5-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole?
10-(3-benzo[c]phenanthren-5-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole has a molecular weight of 598.71 g/mol, XLogP of 11.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-benzo[c]phenanthren-5-ylphenyl)-2-pyridin-2-ylnaphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 153302163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).