9-(3-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracene

C46H30 — CID 156677059

IUPAC9-(3-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracene
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4cccc5ccc(-c6ccccc6)cc45)c4ccccc34)c3ccccc3c2)cc1
InChIInChI=1S/C46H30/c1-3-14-31(15-4-1)34-27-26-33-19-13-25-42(43(33)29-34)45-38-21-9-11-23-40(38)46(41-24-12-10-22-39(41)45)44-30-36(32-16-5-2-6-17-32)28-35-18-7-8-20-37(35)44/h1-30H
InChIKeyDUTOUFTURXDEAA-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 9-(3-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracene

9-(3-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracene (PubChem CID 156677059) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 9-(3-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name9-(3-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracene
PubChem CID156677059
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name9-(3-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracene
SMILESc1ccc(-c2cc(-c3c4ccccc4c(-c4cccc5ccc(-c6ccccc6)cc45)c4ccccc34)c3ccccc3c2)cc1
InChIInChI=1S/C46H30/c1-3-14-31(15-4-1)34-27-26-33-19-13-25-42(43(33)29-34)45-38-21-9-11-23-40(38)46(41-24-12-10-22-39(41)45)44-30-36(32-16-5-2-6-17-32)28-35-18-7-8-20-37(35)44/h1-30H
InChIKeyDUTOUFTURXDEAA-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'}

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Frequently Asked Questions

What is the IUPAC name of 9-(3-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracene?
The IUPAC name of 9-(3-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracene (CID 156677059) is 9-(3-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 9-(3-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracene?
The canonical SMILES for 9-(3-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracene is c1ccc(-c2cc(-c3c4ccccc4c(-c4cccc5ccc(-c6ccccc6)cc45)c4ccccc34)c3ccccc3c2)cc1.
What is the InChIKey of 9-(3-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracene?
The InChIKey is DUTOUFTURXDEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-3-14-31(15-4-1)34-27-26-33-19-13-25-42(43(33)29-34)45-38-21-9-11-23-40(38)46(41-24-12-10-22-39(41)45)44-30-36(32-16-5-2-6-17-32)28-35-18-7-8-20-37(35)44/h1-30H.
What are the key properties of 9-(3-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracene?
9-(3-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)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-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 156677059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).