ethane;9-naphthalen-2-yl-10-phenylanthracene

C38H44 — CID 91207825

IUPACethane;9-naphthalen-2-yl-10-phenylanthracene
SMILESCC.CC.CC.CC.c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C30H20.4C2H6/c1-2-11-22(12-3-1)29-25-14-6-8-16-27(25)30(28-17-9-7-15-26(28)29)24-19-18-21-10-4-5-13-23(21)20-24;4*1-2/h1-20H;4*1-2H3
InChIKeyPCUPKOSWEJSCRL-UHFFFAOYSA-N
MW500.77 g/mol
LogP12.59
Rot. Bonds2

About ethane;9-naphthalen-2-yl-10-phenylanthracene

ethane;9-naphthalen-2-yl-10-phenylanthracene (PubChem CID 91207825) has the molecular formula C38H44 and a molecular weight of 500.77 g/mol. Its IUPAC name is ethane;9-naphthalen-2-yl-10-phenylanthracene.

Molecular Properties

Compound Nameethane;9-naphthalen-2-yl-10-phenylanthracene
PubChem CID91207825
Molecular FormulaC38H44
Molecular Weight500.77 g/mol
Exact Mass500.34
IUPAC Nameethane;9-naphthalen-2-yl-10-phenylanthracene
SMILESCC.CC.CC.CC.c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C30H20.4C2H6/c1-2-11-22(12-3-1)29-25-14-6-8-16-27(25)30(28-17-9-7-15-26(28)29)24-19-18-21-10-4-5-13-23(21)20-24;4*1-2/h1-20H;4*1-2H3
InChIKeyPCUPKOSWEJSCRL-UHFFFAOYSA-N
XLogP12.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.77
LogP ≤ 512.59
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

9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465

Frequently Asked Questions

What is the IUPAC name of ethane;9-naphthalen-2-yl-10-phenylanthracene?
The IUPAC name of ethane;9-naphthalen-2-yl-10-phenylanthracene (CID 91207825) is ethane;9-naphthalen-2-yl-10-phenylanthracene.
What is the SMILES notation for ethane;9-naphthalen-2-yl-10-phenylanthracene?
The canonical SMILES for ethane;9-naphthalen-2-yl-10-phenylanthracene is CC.CC.CC.CC.c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.
What is the InChIKey of ethane;9-naphthalen-2-yl-10-phenylanthracene?
The InChIKey is PCUPKOSWEJSCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20.4C2H6/c1-2-11-22(12-3-1)29-25-14-6-8-16-27(25)30(28-17-9-7-15-26(28)29)24-19-18-21-10-4-5-13-23(21)20-24;4*1-2/h1-20H;4*1-2H3.
What are the key properties of ethane;9-naphthalen-2-yl-10-phenylanthracene?
ethane;9-naphthalen-2-yl-10-phenylanthracene has a molecular weight of 500.77 g/mol, XLogP of 12.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-naphthalen-2-yl-10-phenylanthracene is sourced from PubChem (CID 91207825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).