2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene

C50H34 — CID 143617537

IUPAC2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene
SMILESC=Cc1ccc(-c2cccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)c2)cc1C=C
InChIInChI=1S/C50H34/c1-3-33-20-23-41(28-34(33)4-2)39-16-11-17-40(29-39)42-26-27-47-48(32-42)50(44-25-22-36-13-6-8-15-38(36)31-44)46-19-10-9-18-45(46)49(47)43-24-21-35-12-5-7-14-37(35)30-43/h3-32H,1-2H2
InChIKeyPJCBJBNXWWQHSU-UHFFFAOYSA-N
MW634.82 g/mol
LogP14.25
Rot. Bonds6

About 2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene

2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene (PubChem CID 143617537) has the molecular formula C50H34 and a molecular weight of 634.82 g/mol. Its IUPAC name is 2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene.

Molecular Properties

Compound Name2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene
PubChem CID143617537
Molecular FormulaC50H34
Molecular Weight634.82 g/mol
Exact Mass634.27
IUPAC Name2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene
SMILESC=Cc1ccc(-c2cccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)c2)cc1C=C
InChIInChI=1S/C50H34/c1-3-33-20-23-41(28-34(33)4-2)39-16-11-17-40(29-39)42-26-27-47-48(32-42)50(44-25-22-36-13-6-8-15-38(36)31-44)46-19-10-9-18-45(46)49(47)43-24-21-35-12-5-7-14-37(35)30-43/h3-32H,1-2H2
InChIKeyPJCBJBNXWWQHSU-UHFFFAOYSA-N
XLogP14.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.82
LogP ≤ 514.25
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-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
5,12-bis(3-naphthalen-2-ylphenyl)tetracene
CID 58434984
10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene
CID 145000887
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
2-[3-[3-[3-[3,4-bis(ethenyl)phenyl]-5-bromophenyl]phenyl]-5-bromophenyl]naphthalene
CID 143743019
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene
CID 58194491
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58323030

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene?
The IUPAC name of 2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene (CID 143617537) is 2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene.
What is the SMILES notation for 2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene?
The canonical SMILES for 2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene is C=Cc1ccc(-c2cccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)c2)cc1C=C.
What is the InChIKey of 2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene?
The InChIKey is PJCBJBNXWWQHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34/c1-3-33-20-23-41(28-34(33)4-2)39-16-11-17-40(29-39)42-26-27-47-48(32-42)50(44-25-22-36-13-6-8-15-38(36)31-44)46-19-10-9-18-45(46)49(47)43-24-21-35-12-5-7-14-37(35)30-43/h3-32H,1-2H2.
What are the key properties of 2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene?
2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene has a molecular weight of 634.82 g/mol, XLogP of 14.25, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,4-bis(ethenyl)phenyl]phenyl]-9,10-dinaphthalen-2-ylanthracene is sourced from PubChem (CID 143617537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).