1,3-diphenylphenanthrene

C26H18 — CID 13011098

IUPAC1,3-diphenylphenanthrene
SMILESc1ccc(-c2cc(-c3ccccc3)c3ccc4ccccc4c3c2)cc1
InChIInChI=1S/C26H18/c1-3-9-19(10-4-1)22-17-25(20-11-5-2-6-12-20)24-16-15-21-13-7-8-14-23(21)26(24)18-22/h1-18H
InChIKeyAVKUDVBVCGMVNA-UHFFFAOYSA-N
MW330.43 g/mol
LogP7.33
Rot. Bonds2

About 1,3-diphenylphenanthrene

1,3-diphenylphenanthrene (PubChem CID 13011098) has the molecular formula C26H18 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1,3-diphenylphenanthrene.

Molecular Properties

Compound Name1,3-diphenylphenanthrene
PubChem CID13011098
Molecular FormulaC26H18
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC Name1,3-diphenylphenanthrene
SMILESc1ccc(-c2cc(-c3ccccc3)c3ccc4ccccc4c3c2)cc1
InChIInChI=1S/C26H18/c1-3-9-19(10-4-1)22-17-25(20-11-5-2-6-12-20)24-16-15-21-13-7-8-14-23(21)26(24)18-22/h1-18H
InChIKeyAVKUDVBVCGMVNA-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[6,12-di(phenanthren-2-yl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501184
3-chrysen-3-yl-9-phenylchrysene
CID 140818401
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235
1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene
CID 159069619
2-(3-chrysen-6-yl-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 130355580
6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene
CID 140792190
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]triphenylene;2-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-[4-(4-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 159620221
2-[3-chrysen-6-yl-5-(12-phenylchrysen-6-yl)phenyl]dibenzofuran
CID 58037141
1-(3-naphthalen-1-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;1-(3-naphthalen-2-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;9-[4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[4-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;9-[4-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;2-[4-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]triphenylene;1-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)naphthalene;1-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)naphthalene;2-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)naphthalene
CID 159867264
5,10-diphenylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 134958577
6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene
CID 59399019
3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
CID 58194539

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylphenanthrene?
The IUPAC name of 1,3-diphenylphenanthrene (CID 13011098) is 1,3-diphenylphenanthrene.
What is the SMILES notation for 1,3-diphenylphenanthrene?
The canonical SMILES for 1,3-diphenylphenanthrene is c1ccc(-c2cc(-c3ccccc3)c3ccc4ccccc4c3c2)cc1.
What is the InChIKey of 1,3-diphenylphenanthrene?
The InChIKey is AVKUDVBVCGMVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18/c1-3-9-19(10-4-1)22-17-25(20-11-5-2-6-12-20)24-16-15-21-13-7-8-14-23(21)26(24)18-22/h1-18H.
What are the key properties of 1,3-diphenylphenanthrene?
1,3-diphenylphenanthrene has a molecular weight of 330.43 g/mol, XLogP of 7.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylphenanthrene is sourced from PubChem (CID 13011098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).