7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine

C31H23NO2 — CID 59182915

IUPAC7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine
SMILESCOc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3c2cnc2ccccc23)cc1
InChIInChI=1S/C31H23NO2/c1-33-22-15-11-20(12-16-22)29-24-7-3-4-8-25(24)30(21-13-17-23(34-2)18-14-21)31-26-9-5-6-10-28(26)32-19-27(29)31/h3-19H,1-2H3
InChIKeyANPWBGPFUWBUQC-UHFFFAOYSA-N
MW441.53 g/mol
LogP7.89
Rot. Bonds4

About 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine

7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine (PubChem CID 59182915) has the molecular formula C31H23NO2 and a molecular weight of 441.53 g/mol. Its IUPAC name is 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine.

Molecular Properties

Compound Name7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine
PubChem CID59182915
Molecular FormulaC31H23NO2
Molecular Weight441.53 g/mol
Exact Mass441.17
IUPAC Name7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine
SMILESCOc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3c2cnc2ccccc23)cc1
InChIInChI=1S/C31H23NO2/c1-33-22-15-11-20(12-16-22)29-24-7-3-4-8-25(24)30(21-13-17-23(34-2)18-14-21)31-26-9-5-6-10-28(26)32-19-27(29)31/h3-19H,1-2H3
InChIKeyANPWBGPFUWBUQC-UHFFFAOYSA-N
XLogP7.89
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine
CID 59183703
7-(4-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine
CID 59183166
2-[10-(4-methoxyphenyl)anthracen-9-yl]quinoxaline
CID 129060956
7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine
CID 59183805
7,12-bis(4-naphthalen-1-ylphenyl)benzo[j]phenanthridine
CID 59183884
7-(3-naphthalen-2-ylphenyl)-12-phenylbenzo[j]phenanthridine
CID 59183474
7-[4-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)naphthalen-1-yl]-12-phenylbenzo[j]phenanthridine
CID 59183772
7,12-bis(3,4-diphenylphenyl)benzo[j]phenanthridine
CID 59183234
7-[9,9-dimethyl-7-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)fluoren-2-yl]-12-naphthalen-2-ylbenzo[j]phenanthridine
CID 59182996
4-(4-methoxyphenyl)-3-phenylselanylquinoline
CID 86038980
7-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-phenylbenzo[j]phenanthridine
CID 59184043
7,12-bis[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[j]phenanthridine
CID 59183754

Frequently Asked Questions

What is the IUPAC name of 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine?
The IUPAC name of 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine (CID 59182915) is 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine.
What is the SMILES notation for 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine?
The canonical SMILES for 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine is COc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3c2cnc2ccccc23)cc1.
What is the InChIKey of 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine?
The InChIKey is ANPWBGPFUWBUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO2/c1-33-22-15-11-20(12-16-22)29-24-7-3-4-8-25(24)30(21-13-17-23(34-2)18-14-21)31-26-9-5-6-10-28(26)32-19-27(29)31/h3-19H,1-2H3.
What are the key properties of 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine?
7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine has a molecular weight of 441.53 g/mol, XLogP of 7.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine is sourced from PubChem (CID 59182915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).