9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene

C50H32 — CID 58151254

IUPAC9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
SMILESc1cc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)cc(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C50H32/c1-3-18-39-33(13-1)15-12-26-40(39)34-27-29-35(30-28-34)49-44-22-7-9-24-46(44)50(47-25-10-8-23-45(47)49)38-17-11-16-36(31-38)48-32-37-14-2-4-19-41(37)42-20-5-6-21-43(42)48/h1-32H
InChIKeyXFWRIAUQUJUDPS-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene

9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene (PubChem CID 58151254) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene.

Molecular Properties

Compound Name9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
PubChem CID58151254
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
SMILESc1cc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)cc(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C50H32/c1-3-18-39-33(13-1)15-12-26-40(39)34-27-29-35(30-28-34)49-44-22-7-9-24-46(44)50(47-25-10-8-23-45(47)49)38-17-11-16-36(31-38)48-32-37-14-2-4-19-41(37)42-20-5-6-21-43(42)48/h1-32H
InChIKeyXFWRIAUQUJUDPS-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

9-[8-(3-phenanthren-9-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837293
3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene
CID 140942160
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
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58323576
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene
CID 167623602
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 58426694
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(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-phenanthren-9-ylanthracene
CID 163943634
9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene
CID 58194379
9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene
CID 168786911
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583018
2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322677

Frequently Asked Questions

What is the IUPAC name of 9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene?
The IUPAC name of 9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene (CID 58151254) is 9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene.
What is the SMILES notation for 9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene?
The canonical SMILES for 9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene is c1cc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)cc(-c2cc3ccccc3c3ccccc23)c1.
What is the InChIKey of 9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene?
The InChIKey is XFWRIAUQUJUDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-3-18-39-33(13-1)15-12-26-40(39)34-27-29-35(30-28-34)49-44-22-7-9-24-46(44)50(47-25-10-8-23-45(47)49)38-17-11-16-36(31-38)48-32-37-14-2-4-19-41(37)42-20-5-6-21-43(42)48/h1-32H.
What are the key properties of 9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene?
9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene 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-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene is sourced from PubChem (CID 58151254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).