ethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-10-naphthalen-2-ylanthracene

C44H38 — CID 143094204

IUPACethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-10-naphthalen-2-ylanthracene
SMILESC/C=C\C(=C/C)c1cc(-c2ccccc2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.CC
InChIInChI=1S/C42H32.C2H6/c1-3-14-29(4-2)34-26-35(30-15-6-5-7-16-30)28-36(27-34)42-39-21-12-10-19-37(39)41(38-20-11-13-22-40(38)42)33-24-23-31-17-8-9-18-32(31)25-33;1-2/h3-28H,1-2H3;1-2H3/b14-3-,29-4+;
InChIKeyXWQPKUHLHBTAKQ-ULNNGBOSSA-N
MW566.79 g/mol
LogP13.15
Rot. Bonds5

About ethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-10-naphthalen-2-ylanthracene

ethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-10-naphthalen-2-ylanthracene (PubChem CID 143094204) has the molecular formula C44H38 and a molecular weight of 566.79 g/mol. Its IUPAC name is ethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Nameethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-10-naphthalen-2-ylanthracene
PubChem CID143094204
Molecular FormulaC44H38
Molecular Weight566.79 g/mol
Exact Mass566.30
IUPAC Nameethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-10-naphthalen-2-ylanthracene
SMILESC/C=C\C(=C/C)c1cc(-c2ccccc2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.CC
InChIInChI=1S/C42H32.C2H6/c1-3-14-29(4-2)34-26-35(30-15-6-5-7-16-30)28-36(27-34)42-39-21-12-10-19-37(39)41(38-20-11-13-22-40(38)42)33-24-23-31-17-8-9-18-32(31)25-33;1-2/h3-28H,1-2H3;1-2H3/b14-3-,29-4+;
InChIKeyXWQPKUHLHBTAKQ-ULNNGBOSSA-N
XLogP13.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.79
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 59557528
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
ethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-10-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]anthracene
CID 168994151

Frequently Asked Questions

What is the IUPAC name of ethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-10-naphthalen-2-ylanthracene?
The IUPAC name of ethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-10-naphthalen-2-ylanthracene (CID 143094204) is ethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-10-naphthalen-2-ylanthracene.
What is the SMILES notation for ethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-10-naphthalen-2-ylanthracene?
The canonical SMILES for ethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-10-naphthalen-2-ylanthracene is C/C=C\C(=C/C)c1cc(-c2ccccc2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.CC.
What is the InChIKey of ethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-10-naphthalen-2-ylanthracene?
The InChIKey is XWQPKUHLHBTAKQ-ULNNGBOSSA-N. The full InChI is InChI=1S/C42H32.C2H6/c1-3-14-29(4-2)34-26-35(30-15-6-5-7-16-30)28-36(27-34)42-39-21-12-10-19-37(39)41(38-20-11-13-22-40(38)42)33-24-23-31-17-8-9-18-32(31)25-33;1-2/h3-28H,1-2H3;1-2H3/b14-3-,29-4+;.
What are the key properties of ethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-10-naphthalen-2-ylanthracene?
ethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-10-naphthalen-2-ylanthracene has a molecular weight of 566.79 g/mol, XLogP of 13.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 143094204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).