6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine

C46H29N3 — CID 122665464

IUPAC6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2cn3cc(-c4cccc(-c5cc6c(-c7ccc8ccccc8c7)nc7ccccc7c6c6ccccc56)c4)ccc3n2)cc1
InChIInChI=1S/C46H29N3/c1-2-12-31(13-3-1)43-29-49-28-36(23-24-44(49)47-43)33-15-10-16-34(25-33)40-27-41-45(38-18-7-6-17-37(38)40)39-19-8-9-20-42(39)48-46(41)35-22-21-30-11-4-5-14-32(30)26-35/h1-29H
InChIKeyFTTHVIIAEUEAKF-UHFFFAOYSA-N
MW623.76 g/mol
LogP12.01
Rot. Bonds4

About 6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine

6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine (PubChem CID 122665464) has the molecular formula C46H29N3 and a molecular weight of 623.76 g/mol. Its IUPAC name is 6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine
PubChem CID122665464
Molecular FormulaC46H29N3
Molecular Weight623.76 g/mol
Exact Mass623.24
IUPAC Name6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2cn3cc(-c4cccc(-c5cc6c(-c7ccc8ccccc8c7)nc7ccccc7c6c6ccccc56)c4)ccc3n2)cc1
InChIInChI=1S/C46H29N3/c1-2-12-31(13-3-1)43-29-49-28-36(23-24-44(49)47-43)33-15-10-16-34(25-33)40-27-41-45(38-18-7-6-17-37(38)40)39-19-8-9-20-42(39)48-46(41)35-22-21-30-11-4-5-14-32(30)26-35/h1-29H
InChIKeyFTTHVIIAEUEAKF-UHFFFAOYSA-N
XLogP12.01
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 512.01
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

8-[4-(1-ethylbenzimidazol-2-yl)phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine;8-[4-[4-(1-ethylbenzimidazol-2-yl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine;8-[3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine;8-[3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine;6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine;6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]benzo[k]phenanthridine
CID 158808881
8-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665355
6-naphthalen-2-yl-8-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665748
14-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123692
6-naphthalen-2-yl-8-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665699
6-naphthalen-2-yl-8-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665734
6-naphthalen-2-yl-8-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665702
6-naphthalen-2-yl-8-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665741
8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665988
8-[3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665704
8-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665310
6-naphthalen-2-yl-8-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665208

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine?
The IUPAC name of 6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine (CID 122665464) is 6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine.
What is the SMILES notation for 6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine?
The canonical SMILES for 6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine is c1ccc(-c2cn3cc(-c4cccc(-c5cc6c(-c7ccc8ccccc8c7)nc7ccccc7c6c6ccccc56)c4)ccc3n2)cc1.
What is the InChIKey of 6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine?
The InChIKey is FTTHVIIAEUEAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3/c1-2-12-31(13-3-1)43-29-49-28-36(23-24-44(49)47-43)33-15-10-16-34(25-33)40-27-41-45(38-18-7-6-17-37(38)40)39-19-8-9-20-42(39)48-46(41)35-22-21-30-11-4-5-14-32(30)26-35/h1-29H.
What are the key properties of 6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine?
6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine has a molecular weight of 623.76 g/mol, XLogP of 12.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-8-[3-(2-phenylimidazo[1,2-a]pyridin-6-yl)phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 122665464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).