2-(2-benzhydrylphenyl)phenanthro[9,10-d][1,3]oxazole

C34H23NO — CID 171747622

IUPAC2-(2-benzhydrylphenyl)phenanthro[9,10-d][1,3]oxazole
SMILESc1ccc(C(c2ccccc2)c2ccccc2-c2nc3c4ccccc4c4ccccc4c3o2)cc1
InChIInChI=1S/C34H23NO/c1-3-13-23(14-4-1)31(24-15-5-2-6-16-24)27-19-9-12-22-30(27)34-35-32-28-20-10-7-17-25(28)26-18-8-11-21-29(26)33(32)36-34/h1-22,31H
InChIKeySBXAMMIOKVRZBT-UHFFFAOYSA-N
MW461.56 g/mol
LogP8.98
Rot. Bonds4

About 2-(2-benzhydrylphenyl)phenanthro[9,10-d][1,3]oxazole

2-(2-benzhydrylphenyl)phenanthro[9,10-d][1,3]oxazole (PubChem CID 171747622) has the molecular formula C34H23NO and a molecular weight of 461.56 g/mol. Its IUPAC name is 2-(2-benzhydrylphenyl)phenanthro[9,10-d][1,3]oxazole.

Molecular Properties

Compound Name2-(2-benzhydrylphenyl)phenanthro[9,10-d][1,3]oxazole
PubChem CID171747622
Molecular FormulaC34H23NO
Molecular Weight461.56 g/mol
Exact Mass461.18
IUPAC Name2-(2-benzhydrylphenyl)phenanthro[9,10-d][1,3]oxazole
SMILESc1ccc(C(c2ccccc2)c2ccccc2-c2nc3c4ccccc4c4ccccc4c3o2)cc1
InChIInChI=1S/C34H23NO/c1-3-13-23(14-4-1)31(24-15-5-2-6-16-24)27-19-9-12-22-30(27)34-35-32-28-20-10-7-17-25(28)26-18-8-11-21-29(26)33(32)36-34/h1-22,31H
InChIKeySBXAMMIOKVRZBT-UHFFFAOYSA-N
XLogP8.98
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.56
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole
CID 122368664
5-[3-[2-[(3-naphthalen-1-ylphenyl)-(3-phenylphenyl)methyl]phenyl]phenyl]-2-phenylbenzo[e][1,3]benzoxazole
CID 171410341
2-(2-benzhydrylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 175096751
6-[4-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenanthro[9,10-d][1,3]oxazole
CID 163520765
2-(3,4-dimethoxyphenyl)phenanthro[9,10-d][1,3]oxazole
CID 122368663
N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-N,3-diphenylaniline
CID 171747683
N-naphthalen-2-yl-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)naphthalen-2-amine
CID 171747678
3-N-naphthalen-2-yl-1-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 171747409
4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136882
2-phenyl-10-[4-[4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthro[9,10-d][1,3]oxazole
CID 163462812
5,10-di(carbazol-9-yl)-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole
CID 59188552
4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136983

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzhydrylphenyl)phenanthro[9,10-d][1,3]oxazole?
The IUPAC name of 2-(2-benzhydrylphenyl)phenanthro[9,10-d][1,3]oxazole (CID 171747622) is 2-(2-benzhydrylphenyl)phenanthro[9,10-d][1,3]oxazole.
What is the SMILES notation for 2-(2-benzhydrylphenyl)phenanthro[9,10-d][1,3]oxazole?
The canonical SMILES for 2-(2-benzhydrylphenyl)phenanthro[9,10-d][1,3]oxazole is c1ccc(C(c2ccccc2)c2ccccc2-c2nc3c4ccccc4c4ccccc4c3o2)cc1.
What is the InChIKey of 2-(2-benzhydrylphenyl)phenanthro[9,10-d][1,3]oxazole?
The InChIKey is SBXAMMIOKVRZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23NO/c1-3-13-23(14-4-1)31(24-15-5-2-6-16-24)27-19-9-12-22-30(27)34-35-32-28-20-10-7-17-25(28)26-18-8-11-21-29(26)33(32)36-34/h1-22,31H.
What are the key properties of 2-(2-benzhydrylphenyl)phenanthro[9,10-d][1,3]oxazole?
2-(2-benzhydrylphenyl)phenanthro[9,10-d][1,3]oxazole has a molecular weight of 461.56 g/mol, XLogP of 8.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzhydrylphenyl)phenanthro[9,10-d][1,3]oxazole is sourced from PubChem (CID 171747622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).