9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene

C46H30 — CID 176590384

IUPAC9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene
SMILESc1ccc(-c2cccc(-c3cccc(-c4c5ccccc5c(-c5cccc6c5ccc5ccccc56)c5ccccc45)c3)c2)cc1
InChIInChI=1S/C46H30/c1-2-13-31(14-3-1)33-16-10-17-34(29-33)35-18-11-19-36(30-35)45-41-21-6-8-23-43(41)46(44-24-9-7-22-42(44)45)40-26-12-25-38-37-20-5-4-15-32(37)27-28-39(38)40/h1-30H
InChIKeyRPFSSEPNIHYTBJ-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene

9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene (PubChem CID 176590384) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene.

Molecular Properties

Compound Name9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene
PubChem CID176590384
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene
SMILESc1ccc(-c2cccc(-c3cccc(-c4c5ccccc5c(-c5cccc6c5ccc5ccccc56)c5ccccc45)c3)c2)cc1
InChIInChI=1S/C46H30/c1-2-13-31(14-3-1)33-16-10-17-34(29-33)35-18-11-19-36(30-35)45-41-21-6-8-23-43(41)46(44-24-9-7-22-42(44)45)40-26-12-25-38-37-20-5-4-15-32(37)27-28-39(38)40/h1-30H
InChIKeyRPFSSEPNIHYTBJ-UHFFFAOYSA-N
XLogP12.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-methyl-10-phenanthren-1-yl-9-(3-phenylphenyl)anthracene
CID 59856401
2,6-dimethyl-9-phenanthren-1-yl-10-(3-phenylphenyl)anthracene
CID 59718307
9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
CID 58194333
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene
CID 58194236
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene
CID 162239926
9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene
CID 140855946
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159190052
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 160765049
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159702993

Frequently Asked Questions

What is the IUPAC name of 9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene?
The IUPAC name of 9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene (CID 176590384) is 9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene.
What is the SMILES notation for 9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene?
The canonical SMILES for 9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene is c1ccc(-c2cccc(-c3cccc(-c4c5ccccc5c(-c5cccc6c5ccc5ccccc56)c5ccccc45)c3)c2)cc1.
What is the InChIKey of 9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene?
The InChIKey is RPFSSEPNIHYTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-2-13-31(14-3-1)33-16-10-17-34(29-33)35-18-11-19-36(30-35)45-41-21-6-8-23-43(41)46(44-24-9-7-22-42(44)45)40-26-12-25-38-37-20-5-4-15-32(37)27-28-39(38)40/h1-30H.
What are the key properties of 9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene?
9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene has a molecular weight of 582.75 g/mol, XLogP of 12.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene is sourced from PubChem (CID 176590384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).