9-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-10-(2-phenylphenyl)anthracene

C39H28 — CID 143043863

IUPAC9-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-10-(2-phenylphenyl)anthracene
SMILESC1=CCC=CC(c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3ccccc23)=C1
InChIInChI=1S/C39H28/c1-2-5-17-28(16-4-1)30-20-8-10-22-32(30)38-34-24-12-14-26-36(34)39(37-27-15-13-25-35(37)38)33-23-11-9-21-31(33)29-18-6-3-7-19-29/h1,3-27H,2H2
InChIKeyDNIBWGVUSURRGO-UHFFFAOYSA-N
MW496.65 g/mol
LogP10.89
Rot. Bonds4

About 9-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-10-(2-phenylphenyl)anthracene

9-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-10-(2-phenylphenyl)anthracene (PubChem CID 143043863) has the molecular formula C39H28 and a molecular weight of 496.65 g/mol. Its IUPAC name is 9-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-10-(2-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-10-(2-phenylphenyl)anthracene
PubChem CID143043863
Molecular FormulaC39H28
Molecular Weight496.65 g/mol
Exact Mass496.22
IUPAC Name9-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-10-(2-phenylphenyl)anthracene
SMILESC1=CCC=CC(c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3ccccc23)=C1
InChIInChI=1S/C39H28/c1-2-5-17-28(16-4-1)30-20-8-10-22-32(30)38-34-24-12-14-26-36(34)39(37-27-15-13-25-35(37)38)33-23-11-9-21-31(33)29-18-6-3-7-19-29/h1,3-27H,2H2
InChIKeyDNIBWGVUSURRGO-UHFFFAOYSA-N
XLogP10.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 510.89
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-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
CID 59090311
3-(2-methoxyphenyl)cyclohepta-1,3,5-triene
CID 144597097
9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
ethane;3-(3-phenylphenyl)cyclohepta-1,3,5-triene
CID 144739295
ethane;3-(3-methyl-5-phenylphenyl)cyclohepta-1,3,5-triene
CID 145328002
11-phenyl-5-(4-phenylnaphthalen-1-yl)-8H-cyclohepta[b]naphthalene
CID 144837253
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene
CID 18740150
2-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-5-ethylfuran
CID 134887264
4-cyclohepta-1,3,6-trien-1-ylpyrene
CID 142416160
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569

Frequently Asked Questions

What is the IUPAC name of 9-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-10-(2-phenylphenyl)anthracene?
The IUPAC name of 9-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-10-(2-phenylphenyl)anthracene (CID 143043863) is 9-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-10-(2-phenylphenyl)anthracene.
What is the SMILES notation for 9-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-10-(2-phenylphenyl)anthracene?
The canonical SMILES for 9-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-10-(2-phenylphenyl)anthracene is C1=CCC=CC(c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3ccccc23)=C1.
What is the InChIKey of 9-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-10-(2-phenylphenyl)anthracene?
The InChIKey is DNIBWGVUSURRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28/c1-2-5-17-28(16-4-1)30-20-8-10-22-32(30)38-34-24-12-14-26-36(34)39(37-27-15-13-25-35(37)38)33-23-11-9-21-31(33)29-18-6-3-7-19-29/h1,3-27H,2H2.
What are the key properties of 9-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-10-(2-phenylphenyl)anthracene?
9-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-10-(2-phenylphenyl)anthracene has a molecular weight of 496.65 g/mol, XLogP of 10.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-cyclohepta-1,3,6-trien-1-ylphenyl)-10-(2-phenylphenyl)anthracene is sourced from PubChem (CID 143043863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).