2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one

C51H35NO — CID 142363203

IUPAC2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one
SMILESC=Cc1c(C=C)c(-c2ccccc2)c2cc(-c3ccc4c(c3)c3ccccc3c(=O)n4-c3ccc(-c4ccccc4)cc3)ccc2c1-c1ccccc1
InChIInChI=1S/C51H35NO/c1-3-41-42(4-2)50(37-20-12-7-13-21-37)47-33-38(26-30-44(47)49(41)36-18-10-6-11-19-36)39-27-31-48-46(32-39)43-22-14-15-23-45(43)51(53)52(48)40-28-24-35(25-29-40)34-16-8-5-9-17-34/h3-33H,1-2H2
InChIKeyJOTHOCYVTIJYFK-UHFFFAOYSA-N
MW677.85 g/mol
LogP13.25
Rot. Bonds7

About 2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one

2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one (PubChem CID 142363203) has the molecular formula C51H35NO and a molecular weight of 677.85 g/mol. Its IUPAC name is 2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one.

Molecular Properties

Compound Name2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one
PubChem CID142363203
Molecular FormulaC51H35NO
Molecular Weight677.85 g/mol
Exact Mass677.27
IUPAC Name2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one
SMILESC=Cc1c(C=C)c(-c2ccccc2)c2cc(-c3ccc4c(c3)c3ccccc3c(=O)n4-c3ccc(-c4ccccc4)cc3)ccc2c1-c1ccccc1
InChIInChI=1S/C51H35NO/c1-3-41-42(4-2)50(37-20-12-7-13-21-37)47-33-38(26-30-44(47)49(41)36-18-10-6-11-19-36)39-27-31-48-46(32-39)43-22-14-15-23-45(43)51(53)52(48)40-28-24-35(25-29-40)34-16-8-5-9-17-34/h3-33H,1-2H2
InChIKeyJOTHOCYVTIJYFK-UHFFFAOYSA-N
XLogP13.25
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 513.25
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

2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one
CID 134576445
2-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one
CID 90379886
5-[4-[4-dibenzofuran-3-yl-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]phenanthridin-6-one
CID 142363103
2-(9,10-diphenylanthracen-2-yl)-5-naphthalen-2-ylphenanthridin-6-one
CID 134576288
2-phenyl-5-(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576225
2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one
CID 142451944
9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one
CID 139524600
2-(9,10-diphenylanthracen-2-yl)-5-pyridin-3-ylphenanthridin-6-one
CID 134576389
[5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(4-phenylphenyl)indol-3-yl]methanimine
CID 129084260
2,5-bis(10-phenylanthracen-9-yl)phenanthridin-6-one
CID 134576418
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one
CID 134576237

Frequently Asked Questions

What is the IUPAC name of 2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one?
The IUPAC name of 2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one (CID 142363203) is 2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one.
What is the SMILES notation for 2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one?
The canonical SMILES for 2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one is C=Cc1c(C=C)c(-c2ccccc2)c2cc(-c3ccc4c(c3)c3ccccc3c(=O)n4-c3ccc(-c4ccccc4)cc3)ccc2c1-c1ccccc1.
What is the InChIKey of 2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one?
The InChIKey is JOTHOCYVTIJYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NO/c1-3-41-42(4-2)50(37-20-12-7-13-21-37)47-33-38(26-30-44(47)49(41)36-18-10-6-11-19-36)39-27-31-48-46(32-39)43-22-14-15-23-45(43)51(53)52(48)40-28-24-35(25-29-40)34-16-8-5-9-17-34/h3-33H,1-2H2.
What are the key properties of 2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one?
2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one has a molecular weight of 677.85 g/mol, XLogP of 13.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one is sourced from PubChem (CID 142363203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).