3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene

C46H30 — CID 177264858

IUPAC3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene
SMILESc1ccc(-c2ccc3ccc4ccc(-c5c6ccccc6c(-c6ccccc6-c6ccccc6)c6ccccc56)cc4c3c2)cc1
InChIInChI=1S/C46H30/c1-3-13-31(14-4-1)35-27-25-33-23-24-34-26-28-36(30-44(34)43(33)29-35)45-39-19-9-11-21-41(39)46(42-22-12-10-20-40(42)45)38-18-8-7-17-37(38)32-15-5-2-6-16-32/h1-30H
InChIKeyAORLVGQWXIEDAG-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene

3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene (PubChem CID 177264858) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene.

Molecular Properties

Compound Name3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene
PubChem CID177264858
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene
SMILESc1ccc(-c2ccc3ccc4ccc(-c5c6ccccc6c(-c6ccccc6-c6ccccc6)c6ccccc56)cc4c3c2)cc1
InChIInChI=1S/C46H30/c1-3-13-31(14-4-1)35-27-25-33-23-24-34-26-28-36(30-44(34)43(33)29-35)45-39-19-9-11-21-41(39)46(42-22-12-10-20-40(42)45)38-18-8-7-17-37(38)32-15-5-2-6-16-32/h1-30H
InChIKeyAORLVGQWXIEDAG-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-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
CID 158302450
9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438356
9-phenanthren-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene
CID 58194536
9-[2-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123816482
9-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 58965810
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 161206323
9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
CID 58194333
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
CID 123147447
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 159958636
2-naphthalen-1-yl-9,10-bis(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 157235562
9-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-naphthalen-2-yl-10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(2-phenylphenyl)-10-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]anthracene;9-[2-(4-phenylphenyl)phenyl]-10-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]anthracene;9-[2-(4-phenylphenyl)phenyl]-10-[4-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]anthracene
CID 158444293
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene
CID 18740150

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene?
The IUPAC name of 3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene (CID 177264858) is 3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene.
What is the SMILES notation for 3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene?
The canonical SMILES for 3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene is c1ccc(-c2ccc3ccc4ccc(-c5c6ccccc6c(-c6ccccc6-c6ccccc6)c6ccccc56)cc4c3c2)cc1.
What is the InChIKey of 3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene?
The InChIKey is AORLVGQWXIEDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-3-13-31(14-4-1)35-27-25-33-23-24-34-26-28-36(30-44(34)43(33)29-35)45-39-19-9-11-21-41(39)46(42-22-12-10-20-40(42)45)38-18-8-7-17-37(38)32-15-5-2-6-16-32/h1-30H.
What are the key properties of 3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene?
3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene 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 3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene is sourced from PubChem (CID 177264858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).