9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene

C46H30 — CID 58151317

IUPAC9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)c3ccccc23)cc1
InChIInChI=1S/C46H30/c1-2-15-31(16-3-1)35-20-6-9-24-39(35)46-42-27-12-10-25-40(42)45(41-26-11-13-28-43(41)46)34-19-14-18-32(29-34)44-30-33-17-4-5-21-36(33)37-22-7-8-23-38(37)44/h1-30H
InChIKeyKXHQORLUSLPHCQ-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene

9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene (PubChem CID 58151317) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene
PubChem CID58151317
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)c3ccccc23)cc1
InChIInChI=1S/C46H30/c1-2-15-31(16-3-1)35-20-6-9-24-39(35)46-42-27-12-10-25-40(42)45(41-26-11-13-28-43(41)46)34-19-14-18-32(29-34)44-30-33-17-4-5-21-36(33)37-22-7-8-23-38(37)44/h1-30H
InChIKeyKXHQORLUSLPHCQ-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

9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58151254
9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 123698670
9,10-bis(2-phenylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-phenanthren-3-yl-10-phenylanthracene;9-(3-phenanthren-9-ylphenyl)-10-phenylanthracene;9-(4-phenanthren-9-ylphenyl)-10-phenylanthracene;9-(2-phenylphenyl)-10-(3-phenylphenyl)anthracene;9-(2-phenylphenyl)-10-(4-phenylphenyl)anthracene
CID 160536596
2-(3-phenanthren-9-ylphenyl)-7-[7-(2-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629226
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58322909
9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene
CID 171447415
9-(2-anthracen-9-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706323
9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837293
10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322788
3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene
CID 140942160
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 159958636

Frequently Asked Questions

What is the IUPAC name of 9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene?
The IUPAC name of 9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene (CID 58151317) is 9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene.
What is the SMILES notation for 9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene?
The canonical SMILES for 9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)c3ccccc23)cc1.
What is the InChIKey of 9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene?
The InChIKey is KXHQORLUSLPHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-2-15-31(16-3-1)35-20-6-9-24-39(35)46-42-27-12-10-25-40(42)45(41-26-11-13-28-43(41)46)34-19-14-18-32(29-34)44-30-33-17-4-5-21-36(33)37-22-7-8-23-38(37)44/h1-30H.
What are the key properties of 9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene?
9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)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-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene is sourced from PubChem (CID 58151317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).