2-(4-ethylphenyl)-10-(6-phenylcyclohexa-1,5-dien-1-yl)-9-(2-phenylphenyl)anthracene

C46H36 — CID 143872388

IUPAC2-(4-ethylphenyl)-10-(6-phenylcyclohexa-1,5-dien-1-yl)-9-(2-phenylphenyl)anthracene
SMILESCCc1ccc(-c2ccc3c(C4=CCCC=C4c4ccccc4)c4ccccc4c(-c4ccccc4-c4ccccc4)c3c2)cc1
InChIInChI=1S/C46H36/c1-2-32-25-27-33(28-26-32)36-29-30-43-44(31-36)46(40-22-12-10-20-38(40)35-17-7-4-8-18-35)42-24-14-13-23-41(42)45(43)39-21-11-9-19-37(39)34-15-5-3-6-16-34/h3-8,10,12-31H,2,9,11H2,1H3
InChIKeyKXLBZGOJXVXMHZ-UHFFFAOYSA-N
MW588.79 g/mol
LogP12.82
Rot. Bonds6

About 2-(4-ethylphenyl)-10-(6-phenylcyclohexa-1,5-dien-1-yl)-9-(2-phenylphenyl)anthracene

2-(4-ethylphenyl)-10-(6-phenylcyclohexa-1,5-dien-1-yl)-9-(2-phenylphenyl)anthracene (PubChem CID 143872388) has the molecular formula C46H36 and a molecular weight of 588.79 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-10-(6-phenylcyclohexa-1,5-dien-1-yl)-9-(2-phenylphenyl)anthracene.

Molecular Properties

Compound Name2-(4-ethylphenyl)-10-(6-phenylcyclohexa-1,5-dien-1-yl)-9-(2-phenylphenyl)anthracene
PubChem CID143872388
Molecular FormulaC46H36
Molecular Weight588.79 g/mol
Exact Mass588.28
IUPAC Name2-(4-ethylphenyl)-10-(6-phenylcyclohexa-1,5-dien-1-yl)-9-(2-phenylphenyl)anthracene
SMILESCCc1ccc(-c2ccc3c(C4=CCCC=C4c4ccccc4)c4ccccc4c(-c4ccccc4-c4ccccc4)c3c2)cc1
InChIInChI=1S/C46H36/c1-2-32-25-27-33(28-26-32)36-29-30-43-44(31-36)46(40-22-12-10-20-38(40)35-17-7-4-8-18-35)42-24-14-13-23-41(42)45(43)39-21-11-9-19-37(39)34-15-5-3-6-16-34/h3-8,10,12-31H,2,9,11H2,1H3
InChIKeyKXLBZGOJXVXMHZ-UHFFFAOYSA-N
XLogP12.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.79
LogP ≤ 512.82
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-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-bis(2-phenylphenyl)anthracene
CID 18740150
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
CID 123147447
9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636
2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
CID 158302450
1-ethyl-4-(2-phenylphenyl)benzene;sulfane
CID 160558702
9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
CID 59090311
3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene
CID 177264858
9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 59793185
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
CID 157347994
2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene
CID 58875734
2-naphthalen-1-yl-9,10-bis(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 157235562

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-10-(6-phenylcyclohexa-1,5-dien-1-yl)-9-(2-phenylphenyl)anthracene?
The IUPAC name of 2-(4-ethylphenyl)-10-(6-phenylcyclohexa-1,5-dien-1-yl)-9-(2-phenylphenyl)anthracene (CID 143872388) is 2-(4-ethylphenyl)-10-(6-phenylcyclohexa-1,5-dien-1-yl)-9-(2-phenylphenyl)anthracene.
What is the SMILES notation for 2-(4-ethylphenyl)-10-(6-phenylcyclohexa-1,5-dien-1-yl)-9-(2-phenylphenyl)anthracene?
The canonical SMILES for 2-(4-ethylphenyl)-10-(6-phenylcyclohexa-1,5-dien-1-yl)-9-(2-phenylphenyl)anthracene is CCc1ccc(-c2ccc3c(C4=CCCC=C4c4ccccc4)c4ccccc4c(-c4ccccc4-c4ccccc4)c3c2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-10-(6-phenylcyclohexa-1,5-dien-1-yl)-9-(2-phenylphenyl)anthracene?
The InChIKey is KXLBZGOJXVXMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36/c1-2-32-25-27-33(28-26-32)36-29-30-43-44(31-36)46(40-22-12-10-20-38(40)35-17-7-4-8-18-35)42-24-14-13-23-41(42)45(43)39-21-11-9-19-37(39)34-15-5-3-6-16-34/h3-8,10,12-31H,2,9,11H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-10-(6-phenylcyclohexa-1,5-dien-1-yl)-9-(2-phenylphenyl)anthracene?
2-(4-ethylphenyl)-10-(6-phenylcyclohexa-1,5-dien-1-yl)-9-(2-phenylphenyl)anthracene has a molecular weight of 588.79 g/mol, XLogP of 12.82, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-10-(6-phenylcyclohexa-1,5-dien-1-yl)-9-(2-phenylphenyl)anthracene is sourced from PubChem (CID 143872388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).