7-methoxy-1-(1,10-phenanthrolin-2-yl)-6-phenylbenzo[k]phenanthridine

C36H23N3O — CID 171055106

IUPAC7-methoxy-1-(1,10-phenanthrolin-2-yl)-6-phenylbenzo[k]phenanthridine
SMILESCOc1cc2ccccc2c2c1c(-c1ccccc1)nc1cccc(-c3ccc4ccc5cccnc5c4n3)c12
InChIInChI=1S/C36H23N3O/c1-40-30-21-25-11-5-6-13-26(25)32-31-27(14-7-15-29(31)39-34(33(30)32)22-9-3-2-4-10-22)28-19-18-24-17-16-23-12-8-20-37-35(23)36(24)38-28/h2-21H,1H3
InChIKeyUGQSUQLAOHXNNU-UHFFFAOYSA-N
MW513.60 g/mol
LogP8.98
Rot. Bonds3

About 7-methoxy-1-(1,10-phenanthrolin-2-yl)-6-phenylbenzo[k]phenanthridine

7-methoxy-1-(1,10-phenanthrolin-2-yl)-6-phenylbenzo[k]phenanthridine (PubChem CID 171055106) has the molecular formula C36H23N3O and a molecular weight of 513.60 g/mol. Its IUPAC name is 7-methoxy-1-(1,10-phenanthrolin-2-yl)-6-phenylbenzo[k]phenanthridine.

Molecular Properties

Compound Name7-methoxy-1-(1,10-phenanthrolin-2-yl)-6-phenylbenzo[k]phenanthridine
PubChem CID171055106
Molecular FormulaC36H23N3O
Molecular Weight513.60 g/mol
Exact Mass513.18
IUPAC Name7-methoxy-1-(1,10-phenanthrolin-2-yl)-6-phenylbenzo[k]phenanthridine
SMILESCOc1cc2ccccc2c2c1c(-c1ccccc1)nc1cccc(-c3ccc4ccc5cccnc5c4n3)c12
InChIInChI=1S/C36H23N3O/c1-40-30-21-25-11-5-6-13-26(25)32-31-27(14-7-15-29(31)39-34(33(30)32)22-9-3-2-4-10-22)28-19-18-24-17-16-23-12-8-20-37-35(23)36(24)38-28/h2-21H,1H3
InChIKeyUGQSUQLAOHXNNU-UHFFFAOYSA-N
XLogP8.98
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[7-(1,10-phenanthrolin-2-yl)benzo[k]phenanthridin-6-yl]phenyl]-N,N-diphenylaniline
CID 171055228
2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride
CID 140537308
2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline
CID 138643771
2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 176785197
2-[3-(1,3-diphenylbenzo[f]quinolin-5-yl)phenyl]-1,10-phenanthroline
CID 166568774
11-(1,10-phenanthrolin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513096
13-phenylquinolino[3,4-b][1,10]phenanthroline
CID 163799211
2-[4-[7-[2-(3,5-diphenylphenyl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-[7-[2-(3-phenylphenyl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 164989934
2-[4-(1,3-diphenylbenzo[f]quinolin-5-yl)phenyl]-1,10-phenanthroline
CID 166568699
2-(1,3-diphenylisoquinolin-8-yl)-9-phenyl-1,10-phenanthroline
CID 176785200
6-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline
CID 129085825
2-(1,3,4-triphenylbenzo[g]indazol-6-yl)-1,10-phenanthroline
CID 170441418

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(1,10-phenanthrolin-2-yl)-6-phenylbenzo[k]phenanthridine?
The IUPAC name of 7-methoxy-1-(1,10-phenanthrolin-2-yl)-6-phenylbenzo[k]phenanthridine (CID 171055106) is 7-methoxy-1-(1,10-phenanthrolin-2-yl)-6-phenylbenzo[k]phenanthridine.
What is the SMILES notation for 7-methoxy-1-(1,10-phenanthrolin-2-yl)-6-phenylbenzo[k]phenanthridine?
The canonical SMILES for 7-methoxy-1-(1,10-phenanthrolin-2-yl)-6-phenylbenzo[k]phenanthridine is COc1cc2ccccc2c2c1c(-c1ccccc1)nc1cccc(-c3ccc4ccc5cccnc5c4n3)c12.
What is the InChIKey of 7-methoxy-1-(1,10-phenanthrolin-2-yl)-6-phenylbenzo[k]phenanthridine?
The InChIKey is UGQSUQLAOHXNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3O/c1-40-30-21-25-11-5-6-13-26(25)32-31-27(14-7-15-29(31)39-34(33(30)32)22-9-3-2-4-10-22)28-19-18-24-17-16-23-12-8-20-37-35(23)36(24)38-28/h2-21H,1H3.
What are the key properties of 7-methoxy-1-(1,10-phenanthrolin-2-yl)-6-phenylbenzo[k]phenanthridine?
7-methoxy-1-(1,10-phenanthrolin-2-yl)-6-phenylbenzo[k]phenanthridine has a molecular weight of 513.60 g/mol, XLogP of 8.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(1,10-phenanthrolin-2-yl)-6-phenylbenzo[k]phenanthridine is sourced from PubChem (CID 171055106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).