5-[2,3-bis(ethenyl)-4-naphthalen-1-ylnaphthalen-1-yl]phenanthridin-6-one

C37H25NO — CID 142363116

IUPAC5-[2,3-bis(ethenyl)-4-naphthalen-1-ylnaphthalen-1-yl]phenanthridin-6-one
SMILESC=Cc1c(C=C)c(-n2c(=O)c3ccccc3c3ccccc32)c2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C37H25NO/c1-3-25-26(4-2)36(38-34-23-12-11-18-29(34)28-17-7-10-21-33(28)37(38)39)32-20-9-8-19-31(32)35(25)30-22-13-15-24-14-5-6-16-27(24)30/h3-23H,1-2H2
InChIKeyJXEHVDPJGJFNGU-UHFFFAOYSA-N
MW499.61 g/mol
LogP9.40
Rot. Bonds4

About 5-[2,3-bis(ethenyl)-4-naphthalen-1-ylnaphthalen-1-yl]phenanthridin-6-one

5-[2,3-bis(ethenyl)-4-naphthalen-1-ylnaphthalen-1-yl]phenanthridin-6-one (PubChem CID 142363116) has the molecular formula C37H25NO and a molecular weight of 499.61 g/mol. Its IUPAC name is 5-[2,3-bis(ethenyl)-4-naphthalen-1-ylnaphthalen-1-yl]phenanthridin-6-one.

Molecular Properties

Compound Name5-[2,3-bis(ethenyl)-4-naphthalen-1-ylnaphthalen-1-yl]phenanthridin-6-one
PubChem CID142363116
Molecular FormulaC37H25NO
Molecular Weight499.61 g/mol
Exact Mass499.19
IUPAC Name5-[2,3-bis(ethenyl)-4-naphthalen-1-ylnaphthalen-1-yl]phenanthridin-6-one
SMILESC=Cc1c(C=C)c(-n2c(=O)c3ccccc3c3ccccc32)c2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C37H25NO/c1-3-25-26(4-2)36(38-34-23-12-11-18-29(34)28-17-7-10-21-33(28)37(38)39)32-20-9-8-19-31(32)35(25)30-22-13-15-24-14-5-6-16-27(24)30/h3-23H,1-2H2
InChIKeyJXEHVDPJGJFNGU-UHFFFAOYSA-N
XLogP9.40
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-[10-(2-methylphenyl)anthracen-9-yl]phenanthridin-6-one
CID 134576419
9-[2,3-bis(ethenyl)phenyl]-10-naphthalen-1-ylanthracene
CID 90899985
9-[2,3-bis(ethenyl)-4-phenanthren-9-ylnaphthalen-1-yl]phenanthrene
CID 143856224
1-[2,3,5,6-tetrakis(ethenyl)phenyl]naphthalene
CID 123541767
5-[4-[4-dibenzofuran-3-yl-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]phenanthridin-6-one
CID 142363103
1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole
CID 167187306
9-(6-carbazol-9-yl-9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)carbazole
CID 59220010
4,6-di(carbazol-9-yl)-2,5-dinaphthalen-1-ylbenzene-1,3-dicarbonitrile
CID 164819632
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120
2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one
CID 142363203
2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576418
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499

Frequently Asked Questions

What is the IUPAC name of 5-[2,3-bis(ethenyl)-4-naphthalen-1-ylnaphthalen-1-yl]phenanthridin-6-one?
The IUPAC name of 5-[2,3-bis(ethenyl)-4-naphthalen-1-ylnaphthalen-1-yl]phenanthridin-6-one (CID 142363116) is 5-[2,3-bis(ethenyl)-4-naphthalen-1-ylnaphthalen-1-yl]phenanthridin-6-one.
What is the SMILES notation for 5-[2,3-bis(ethenyl)-4-naphthalen-1-ylnaphthalen-1-yl]phenanthridin-6-one?
The canonical SMILES for 5-[2,3-bis(ethenyl)-4-naphthalen-1-ylnaphthalen-1-yl]phenanthridin-6-one is C=Cc1c(C=C)c(-n2c(=O)c3ccccc3c3ccccc32)c2ccccc2c1-c1cccc2ccccc12.
What is the InChIKey of 5-[2,3-bis(ethenyl)-4-naphthalen-1-ylnaphthalen-1-yl]phenanthridin-6-one?
The InChIKey is JXEHVDPJGJFNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25NO/c1-3-25-26(4-2)36(38-34-23-12-11-18-29(34)28-17-7-10-21-33(28)37(38)39)32-20-9-8-19-31(32)35(25)30-22-13-15-24-14-5-6-16-27(24)30/h3-23H,1-2H2.
What are the key properties of 5-[2,3-bis(ethenyl)-4-naphthalen-1-ylnaphthalen-1-yl]phenanthridin-6-one?
5-[2,3-bis(ethenyl)-4-naphthalen-1-ylnaphthalen-1-yl]phenanthridin-6-one has a molecular weight of 499.61 g/mol, XLogP of 9.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-bis(ethenyl)-4-naphthalen-1-ylnaphthalen-1-yl]phenanthridin-6-one is sourced from PubChem (CID 142363116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).