6-[4-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine

C36H23N3 — CID 122665237

IUPAC6-[4-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2cn3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)cc3n2)cc1
InChIInChI=1S/C36H23N3/c1-2-9-26(10-3-1)33-23-39-21-20-28(22-34(39)37-33)24-14-16-27(17-15-24)36-31-19-18-25-8-4-5-11-29(25)35(31)30-12-6-7-13-32(30)38-36/h1-23H
InChIKeyZEEQNMDGNVMEBW-UHFFFAOYSA-N
MW497.60 g/mol
LogP9.19
Rot. Bonds3

About 6-[4-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine

6-[4-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine (PubChem CID 122665237) has the molecular formula C36H23N3 and a molecular weight of 497.60 g/mol. Its IUPAC name is 6-[4-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-[4-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine
PubChem CID122665237
Molecular FormulaC36H23N3
Molecular Weight497.60 g/mol
Exact Mass497.19
IUPAC Name6-[4-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2cn3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)cc3n2)cc1
InChIInChI=1S/C36H23N3/c1-2-9-26(10-3-1)33-23-39-21-20-28(22-34(39)37-33)24-14-16-27(17-15-24)36-31-19-18-25-8-4-5-11-29(25)35(31)30-12-6-7-13-32(30)38-36/h1-23H
InChIKeyZEEQNMDGNVMEBW-UHFFFAOYSA-N
XLogP9.19
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665667
6-[4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665894
5,9,15-triphenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,14,16-octaene
CID 149327243
6-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665665
6-[4-[3-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine;6-[4-[4-[4-(5-phenylpyrazolo[1,5-c]quinazolin-2-yl)phenyl]phenyl]phenyl]benzo[k]phenanthridine
CID 157118523
6-[4-[3-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665826
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665395
6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine
CID 122666028
6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine
CID 122665219
9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15-phenyl-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
CID 154621767
6-[4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666012
15-phenyl-9-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
CID 154621636

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine?
The IUPAC name of 6-[4-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine (CID 122665237) is 6-[4-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine.
What is the SMILES notation for 6-[4-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine?
The canonical SMILES for 6-[4-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine is c1ccc(-c2cn3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)cc3n2)cc1.
What is the InChIKey of 6-[4-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine?
The InChIKey is ZEEQNMDGNVMEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3/c1-2-9-26(10-3-1)33-23-39-21-20-28(22-34(39)37-33)24-14-16-27(17-15-24)36-31-19-18-25-8-4-5-11-29(25)35(31)30-12-6-7-13-32(30)38-36/h1-23H.
What are the key properties of 6-[4-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine?
6-[4-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine has a molecular weight of 497.60 g/mol, XLogP of 9.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 122665237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).