9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane

C42H32 — CID 160747045

IUPAC9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
SMILESCC.c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1
InChIInChI=1S/C40H26.C2H6/c1-2-12-27(13-3-1)30-24-25-37-38(26-30)40(34-23-11-17-29-15-5-7-19-32(29)34)36-21-9-8-20-35(36)39(37)33-22-10-16-28-14-4-6-18-31(28)33;1-2/h1-26H;1-2H3
InChIKeyRWHZQKMOBNMVFK-UHFFFAOYSA-N
MW536.72 g/mol
LogP12.33
Rot. Bonds3

About 9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane

9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane (PubChem CID 160747045) has the molecular formula C42H32 and a molecular weight of 536.72 g/mol. Its IUPAC name is 9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane.

Molecular Properties

Compound Name9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
PubChem CID160747045
Molecular FormulaC42H32
Molecular Weight536.72 g/mol
Exact Mass536.25
IUPAC Name9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
SMILESCC.c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1
InChIInChI=1S/C40H26.C2H6/c1-2-12-27(13-3-1)30-24-25-37-38(26-30)40(34-23-11-17-29-15-5-7-19-32(29)34)36-21-9-8-20-35(36)39(37)33-22-10-16-28-14-4-6-18-31(28)33;1-2/h1-26H;1-2H3
InChIKeyRWHZQKMOBNMVFK-UHFFFAOYSA-N
XLogP12.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.72
LogP ≤ 512.33
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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Related Compounds

2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
CID 59766352
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene
CID 58323308
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
CID 58194333
9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728

Frequently Asked Questions

What is the IUPAC name of 9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane?
The IUPAC name of 9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane (CID 160747045) is 9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane.
What is the SMILES notation for 9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane?
The canonical SMILES for 9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane is CC.c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1.
What is the InChIKey of 9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane?
The InChIKey is RWHZQKMOBNMVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26.C2H6/c1-2-12-27(13-3-1)30-24-25-37-38(26-30)40(34-23-11-17-29-15-5-7-19-32(29)34)36-21-9-8-20-35(36)39(37)33-22-10-16-28-14-4-6-18-31(28)33;1-2/h1-26H;1-2H3.
What are the key properties of 9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane?
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane has a molecular weight of 536.72 g/mol, XLogP of 12.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane is sourced from PubChem (CID 160747045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).