6-naphthalen-2-yl-9-[4-(6-phenylisoquinolin-3-yl)phenyl]benzo[k]phenanthridine

C48H30N2 — CID 122665305

IUPAC6-naphthalen-2-yl-9-[4-(6-phenylisoquinolin-3-yl)phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2ccc3cnc(-c4ccc(-c5cccc6c5ccc5c(-c7ccc8ccccc8c7)nc7ccccc7c56)cc4)cc3c2)cc1
InChIInChI=1S/C48H30N2/c1-2-9-31(10-3-1)36-22-24-38-30-49-46(29-39(38)28-36)34-20-18-33(19-21-34)40-14-8-15-42-41(40)25-26-44-47(42)43-13-6-7-16-45(43)50-48(44)37-23-17-32-11-4-5-12-35(32)27-37/h1-30H
InChIKeyOSIXNJAHRCGMNH-UHFFFAOYSA-N
MW634.78 g/mol
LogP12.91
Rot. Bonds4

About 6-naphthalen-2-yl-9-[4-(6-phenylisoquinolin-3-yl)phenyl]benzo[k]phenanthridine

6-naphthalen-2-yl-9-[4-(6-phenylisoquinolin-3-yl)phenyl]benzo[k]phenanthridine (PubChem CID 122665305) has the molecular formula C48H30N2 and a molecular weight of 634.78 g/mol. Its IUPAC name is 6-naphthalen-2-yl-9-[4-(6-phenylisoquinolin-3-yl)phenyl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-naphthalen-2-yl-9-[4-(6-phenylisoquinolin-3-yl)phenyl]benzo[k]phenanthridine
PubChem CID122665305
Molecular FormulaC48H30N2
Molecular Weight634.78 g/mol
Exact Mass634.24
IUPAC Name6-naphthalen-2-yl-9-[4-(6-phenylisoquinolin-3-yl)phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2ccc3cnc(-c4ccc(-c5cccc6c5ccc5c(-c7ccc8ccccc8c7)nc7ccccc7c56)cc4)cc3c2)cc1
InChIInChI=1S/C48H30N2/c1-2-9-31(10-3-1)36-22-24-38-30-49-46(29-39(38)28-36)34-20-18-33(19-21-34)40-14-8-15-42-41(40)25-26-44-47(42)43-13-6-7-16-45(43)50-48(44)37-23-17-32-11-4-5-12-35(32)27-37/h1-30H
InChIKeyOSIXNJAHRCGMNH-UHFFFAOYSA-N
XLogP12.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.78
LogP ≤ 512.91
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

8-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665355
10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine
CID 146548513
8-[2,6-bis(4-quinolin-8-ylphenyl)-4-pyridinyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665941
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
6-[4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666012
6-naphthalen-2-yl-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]benzo[k]phenanthridine
CID 122666089
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-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665222
6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine
CID 122665899
14-[3-[6-(1,10-phenanthrolin-4-yl)isoquinolin-3-yl]phenyl]-3-oxa-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 146408755

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-9-[4-(6-phenylisoquinolin-3-yl)phenyl]benzo[k]phenanthridine?
The IUPAC name of 6-naphthalen-2-yl-9-[4-(6-phenylisoquinolin-3-yl)phenyl]benzo[k]phenanthridine (CID 122665305) is 6-naphthalen-2-yl-9-[4-(6-phenylisoquinolin-3-yl)phenyl]benzo[k]phenanthridine.
What is the SMILES notation for 6-naphthalen-2-yl-9-[4-(6-phenylisoquinolin-3-yl)phenyl]benzo[k]phenanthridine?
The canonical SMILES for 6-naphthalen-2-yl-9-[4-(6-phenylisoquinolin-3-yl)phenyl]benzo[k]phenanthridine is c1ccc(-c2ccc3cnc(-c4ccc(-c5cccc6c5ccc5c(-c7ccc8ccccc8c7)nc7ccccc7c56)cc4)cc3c2)cc1.
What is the InChIKey of 6-naphthalen-2-yl-9-[4-(6-phenylisoquinolin-3-yl)phenyl]benzo[k]phenanthridine?
The InChIKey is OSIXNJAHRCGMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2/c1-2-9-31(10-3-1)36-22-24-38-30-49-46(29-39(38)28-36)34-20-18-33(19-21-34)40-14-8-15-42-41(40)25-26-44-47(42)43-13-6-7-16-45(43)50-48(44)37-23-17-32-11-4-5-12-35(32)27-37/h1-30H.
What are the key properties of 6-naphthalen-2-yl-9-[4-(6-phenylisoquinolin-3-yl)phenyl]benzo[k]phenanthridine?
6-naphthalen-2-yl-9-[4-(6-phenylisoquinolin-3-yl)phenyl]benzo[k]phenanthridine has a molecular weight of 634.78 g/mol, XLogP of 12.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-9-[4-(6-phenylisoquinolin-3-yl)phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 122665305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).