9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one

C49H33NO — CID 139524600

IUPAC9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one
SMILESO=c1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3-c3ccccc3)ccc2n1-c1ccc(-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C49H33NO/c51-49-45-30-26-38(34-14-4-1-5-15-34)32-46(45)47-33-39(44-23-13-12-21-42(44)36-18-8-3-9-19-36)27-31-48(47)50(49)40-28-24-37(25-29-40)43-22-11-10-20-41(43)35-16-6-2-7-17-35/h1-33H
InChIKeyLRKZNEUJURUQCW-UHFFFAOYSA-N
MW651.81 g/mol
LogP12.48
Rot. Bonds6

About 9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one

9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one (PubChem CID 139524600) has the molecular formula C49H33NO and a molecular weight of 651.81 g/mol. Its IUPAC name is 9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one.

Molecular Properties

Compound Name9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one
PubChem CID139524600
Molecular FormulaC49H33NO
Molecular Weight651.81 g/mol
Exact Mass651.26
IUPAC Name9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one
SMILESO=c1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3-c3ccccc3)ccc2n1-c1ccc(-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C49H33NO/c51-49-45-30-26-38(34-14-4-1-5-15-34)32-46(45)47-33-39(44-23-13-12-21-42(44)36-18-8-3-9-19-36)27-31-48(47)50(49)40-28-24-37(25-29-40)43-22-11-10-20-41(43)35-16-6-2-7-17-35/h1-33H
InChIKeyLRKZNEUJURUQCW-UHFFFAOYSA-N
XLogP12.48
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 512.48
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-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]phenanthridin-6-one
CID 90379886
2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one
CID 142451944
2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one
CID 134576445
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[2-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[2-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole
CID 160831831
2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one
CID 142363203
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590375
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole
CID 59306592
2-(3,6-diphenylcarbazol-9-yl)-9-[4-[2-(3,6-diphenylcarbazol-9-yl)-6-phenylcarbazol-9-yl]phenyl]-6-phenylcarbazole
CID 176786489
2-(2-phenylphenyl)-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 170072989
4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337175

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one?
The IUPAC name of 9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one (CID 139524600) is 9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one.
What is the SMILES notation for 9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one?
The canonical SMILES for 9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one is O=c1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3-c3ccccc3)ccc2n1-c1ccc(-c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one?
The InChIKey is LRKZNEUJURUQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NO/c51-49-45-30-26-38(34-14-4-1-5-15-34)32-46(45)47-33-39(44-23-13-12-21-42(44)36-18-8-3-9-19-36)27-31-48(47)50(49)40-28-24-37(25-29-40)43-22-11-10-20-41(43)35-16-6-2-7-17-35/h1-33H.
What are the key properties of 9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one?
9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one has a molecular weight of 651.81 g/mol, XLogP of 12.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-(2-phenylphenyl)-5-[4-(2-phenylphenyl)phenyl]phenanthridin-6-one is sourced from PubChem (CID 139524600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).