9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene

C50H32 — CID 144837293

IUPAC9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4cccc(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)c4c3)c3ccccc23)cc1
InChIInChI=1S/C50H32/c1-2-14-34(15-3-1)49-43-23-8-10-25-45(43)50(46-26-11-9-24-44(46)49)38-29-28-33-17-13-27-40(47(33)32-38)35-18-12-19-36(30-35)48-31-37-16-4-5-20-39(37)41-21-6-7-22-42(41)48/h1-32H
InChIKeyOPOCWYQZBNRMPB-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene

9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene (PubChem CID 144837293) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene.

Molecular Properties

Compound Name9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
PubChem CID144837293
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4cccc(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)c4c3)c3ccccc23)cc1
InChIInChI=1S/C50H32/c1-2-14-34(15-3-1)49-43-23-8-10-25-45(43)50(46-26-11-9-24-44(46)49)38-29-28-33-17-13-27-40(47(33)32-38)35-18-12-19-36(30-35)48-31-37-16-4-5-20-39(37)41-21-6-7-22-42(41)48/h1-32H
InChIKeyOPOCWYQZBNRMPB-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.12
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

3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene
CID 140942160
9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58151254
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322677
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58323576
2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 59002225
9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413034
2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322858
9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(7-phenylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene
CID 158915055
9,10-bis(4-phenylphenyl)anthracene;9,10-bis[4-(4-phenylphenyl)phenyl]anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenanthren-9-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;bis(9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene)
CID 167580744
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
9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenanthren-9-ylphenyl)anthracene;bis(9-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene);bis(9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene)
CID 160861379

Frequently Asked Questions

What is the IUPAC name of 9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene?
The IUPAC name of 9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene (CID 144837293) is 9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene.
What is the SMILES notation for 9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene?
The canonical SMILES for 9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene is c1ccc(-c2c3ccccc3c(-c3ccc4cccc(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)c4c3)c3ccccc23)cc1.
What is the InChIKey of 9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene?
The InChIKey is OPOCWYQZBNRMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-2-14-34(15-3-1)49-43-23-8-10-25-45(43)50(46-26-11-9-24-44(46)49)38-29-28-33-17-13-27-40(47(33)32-38)35-18-12-19-36(30-35)48-31-37-16-4-5-20-39(37)41-21-6-7-22-42(41)48/h1-32H.
What are the key properties of 9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene?
9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene has a molecular weight of 632.81 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene is sourced from PubChem (CID 144837293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).