6-isoquinolin-4-ylbenzo[k]phenanthridine;6-(2-naphthalen-1-yl-4-pyridinyl)benzo[k]phenanthridine;6-(6-naphthalen-1-yl-3-pyridinyl)benzo[k]phenanthridine;6-quinolin-3-ylbenzo[k]phenanthridine

C116H72N8 — CID 158293678

IUPAC6-isoquinolin-4-ylbenzo[k]phenanthridine;6-(2-naphthalen-1-yl-4-pyridinyl)benzo[k]phenanthridine;6-(6-naphthalen-1-yl-3-pyridinyl)benzo[k]phenanthridine;6-quinolin-3-ylbenzo[k]phenanthridine
SMILESc1ccc2c(-c3cc(-c4nc5ccccc5c5c4ccc4ccccc45)ccn3)cccc2c1.c1ccc2c(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)cn3)cccc2c1.c1ccc2c(-c3nc4ccccc4c4c3ccc3ccccc34)cncc2c1.c1ccc2ncc(-c3nc4ccccc4c4c3ccc3ccccc34)cc2c1
InChIInChI=1S/2C32H20N2.2C26H16N2/c1-3-11-24-21(8-1)10-7-14-26(24)29-19-17-23(20-33-29)32-28-18-16-22-9-2-4-12-25(22)31(28)27-13-5-6-15-30(27)34-32;1-3-11-24-21(8-1)10-7-14-26(24)30-20-23(18-19-33-30)32-28-17-16-22-9-2-4-12-25(22)31(28)27-13-5-6-15-29(27)34-32;1-4-10-20-17(7-1)13-14-22-25(20)21-11-5-6-12-24(21)28-26(22)23-16-27-15-18-8-2-3-9-19(18)23;1-3-9-20-17(7-1)13-14-22-25(20)21-10-4-6-12-24(21)28-26(22)19-15-18-8-2-5-11-23(18)27-16-19/h2*1-20H;2*1-16H
InChIKeyGLQRGXQDABRPPF-UHFFFAOYSA-N
MW1577.91 g/mol
LogP30.36
Rot. Bonds6

About 6-isoquinolin-4-ylbenzo[k]phenanthridine;6-(2-naphthalen-1-yl-4-pyridinyl)benzo[k]phenanthridine;6-(6-naphthalen-1-yl-3-pyridinyl)benzo[k]phenanthridine;6-quinolin-3-ylbenzo[k]phenanthridine

6-isoquinolin-4-ylbenzo[k]phenanthridine;6-(2-naphthalen-1-yl-4-pyridinyl)benzo[k]phenanthridine;6-(6-naphthalen-1-yl-3-pyridinyl)benzo[k]phenanthridine;6-quinolin-3-ylbenzo[k]phenanthridine (PubChem CID 158293678) has the molecular formula C116H72N8 and a molecular weight of 1577.91 g/mol. Its IUPAC name is 6-isoquinolin-4-ylbenzo[k]phenanthridine;6-(2-naphthalen-1-yl-4-pyridinyl)benzo[k]phenanthridine;6-(6-naphthalen-1-yl-3-pyridinyl)benzo[k]phenanthridine;6-quinolin-3-ylbenzo[k]phenanthridine.

Molecular Properties

Compound Name6-isoquinolin-4-ylbenzo[k]phenanthridine;6-(2-naphthalen-1-yl-4-pyridinyl)benzo[k]phenanthridine;6-(6-naphthalen-1-yl-3-pyridinyl)benzo[k]phenanthridine;6-quinolin-3-ylbenzo[k]phenanthridine
PubChem CID158293678
Molecular FormulaC116H72N8
Molecular Weight1577.91 g/mol
Exact Mass1576.59
IUPAC Name6-isoquinolin-4-ylbenzo[k]phenanthridine;6-(2-naphthalen-1-yl-4-pyridinyl)benzo[k]phenanthridine;6-(6-naphthalen-1-yl-3-pyridinyl)benzo[k]phenanthridine;6-quinolin-3-ylbenzo[k]phenanthridine
SMILESc1ccc2c(-c3cc(-c4nc5ccccc5c5c4ccc4ccccc45)ccn3)cccc2c1.c1ccc2c(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)cn3)cccc2c1.c1ccc2c(-c3nc4ccccc4c4c3ccc3ccccc34)cncc2c1.c1ccc2ncc(-c3nc4ccccc4c4c3ccc3ccccc34)cc2c1
InChIInChI=1S/2C32H20N2.2C26H16N2/c1-3-11-24-21(8-1)10-7-14-26(24)29-19-17-23(20-33-29)32-28-18-16-22-9-2-4-12-25(22)31(28)27-13-5-6-15-30(27)34-32;1-3-11-24-21(8-1)10-7-14-26(24)30-20-23(18-19-33-30)32-28-17-16-22-9-2-4-12-25(22)31(28)27-13-5-6-15-29(27)34-32;1-4-10-20-17(7-1)13-14-22-25(20)21-11-5-6-12-24(21)28-26(22)23-16-27-15-18-8-2-3-9-19(18)23;1-3-9-20-17(7-1)13-14-22-25(20)21-10-4-6-12-24(21)28-26(22)19-15-18-8-2-5-11-23(18)27-16-19/h2*1-20H;2*1-16H
InChIKeyGLQRGXQDABRPPF-UHFFFAOYSA-N
XLogP30.36
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001577.91
LogP ≤ 530.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-isoquinolin-4-ylbenzo[k]phenanthridine;6-(2-naphthalen-1-yl-4-pyridinyl)benzo[k]phenanthridine;6-(6-naphthalen-1-yl-3-pyridinyl)benzo[k]phenanthridine;6-quinolin-3-ylbenzo[k]phenanthridine with MolForge

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Related Compounds

6-[3-[6-(1,10-phenanthrolin-4-yl)-3-pyridinyl]phenyl]benzo[k]phenanthridine
CID 146408560
6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine
CID 122665268
6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine
CID 122665899
5-[6-(1,10-phenanthrolin-5-yl)pyren-1-yl]-1,10-phenanthroline;3-(6-pyridin-2-ylpyren-1-yl)quinoline;4-(6-quinolin-8-ylpyren-1-yl)isoquinoline;3-(6-quinolin-3-ylpyren-1-yl)quinoline
CID 159404052
2-naphthalen-1-yl-4-naphthalen-2-ylpyridine
CID 144888160
6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665212
6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine
CID 122665547
6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[k]phenanthridine
CID 118332120
2-(3-naphthalen-1-ylphenyl)-9-quinolin-3-yl-1,10-phenanthroline
CID 134167568
6-naphthalen-2-yl-9-[4-(6-phenylisoquinolin-3-yl)phenyl]benzo[k]phenanthridine
CID 122665305
6-(3-pyridin-3-ylphenyl)benzo[k]phenanthridine
CID 118332103
6-[4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]benzo[k]phenanthridine
CID 146230985

Frequently Asked Questions

What is the IUPAC name of 6-isoquinolin-4-ylbenzo[k]phenanthridine;6-(2-naphthalen-1-yl-4-pyridinyl)benzo[k]phenanthridine;6-(6-naphthalen-1-yl-3-pyridinyl)benzo[k]phenanthridine;6-quinolin-3-ylbenzo[k]phenanthridine?
The IUPAC name of 6-isoquinolin-4-ylbenzo[k]phenanthridine;6-(2-naphthalen-1-yl-4-pyridinyl)benzo[k]phenanthridine;6-(6-naphthalen-1-yl-3-pyridinyl)benzo[k]phenanthridine;6-quinolin-3-ylbenzo[k]phenanthridine (CID 158293678) is 6-isoquinolin-4-ylbenzo[k]phenanthridine;6-(2-naphthalen-1-yl-4-pyridinyl)benzo[k]phenanthridine;6-(6-naphthalen-1-yl-3-pyridinyl)benzo[k]phenanthridine;6-quinolin-3-ylbenzo[k]phenanthridine.
What is the SMILES notation for 6-isoquinolin-4-ylbenzo[k]phenanthridine;6-(2-naphthalen-1-yl-4-pyridinyl)benzo[k]phenanthridine;6-(6-naphthalen-1-yl-3-pyridinyl)benzo[k]phenanthridine;6-quinolin-3-ylbenzo[k]phenanthridine?
The canonical SMILES for 6-isoquinolin-4-ylbenzo[k]phenanthridine;6-(2-naphthalen-1-yl-4-pyridinyl)benzo[k]phenanthridine;6-(6-naphthalen-1-yl-3-pyridinyl)benzo[k]phenanthridine;6-quinolin-3-ylbenzo[k]phenanthridine is c1ccc2c(-c3cc(-c4nc5ccccc5c5c4ccc4ccccc45)ccn3)cccc2c1.c1ccc2c(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)cn3)cccc2c1.c1ccc2c(-c3nc4ccccc4c4c3ccc3ccccc34)cncc2c1.c1ccc2ncc(-c3nc4ccccc4c4c3ccc3ccccc34)cc2c1.
What is the InChIKey of 6-isoquinolin-4-ylbenzo[k]phenanthridine;6-(2-naphthalen-1-yl-4-pyridinyl)benzo[k]phenanthridine;6-(6-naphthalen-1-yl-3-pyridinyl)benzo[k]phenanthridine;6-quinolin-3-ylbenzo[k]phenanthridine?
The InChIKey is GLQRGXQDABRPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H20N2.2C26H16N2/c1-3-11-24-21(8-1)10-7-14-26(24)29-19-17-23(20-33-29)32-28-18-16-22-9-2-4-12-25(22)31(28)27-13-5-6-15-30(27)34-32;1-3-11-24-21(8-1)10-7-14-26(24)30-20-23(18-19-33-30)32-28-17-16-22-9-2-4-12-25(22)31(28)27-13-5-6-15-29(27)34-32;1-4-10-20-17(7-1)13-14-22-25(20)21-11-5-6-12-24(21)28-26(22)23-16-27-15-18-8-2-3-9-19(18)23;1-3-9-20-17(7-1)13-14-22-25(20)21-10-4-6-12-24(21)28-26(22)19-15-18-8-2-5-11-23(18)27-16-19/h2*1-20H;2*1-16H.
What are the key properties of 6-isoquinolin-4-ylbenzo[k]phenanthridine;6-(2-naphthalen-1-yl-4-pyridinyl)benzo[k]phenanthridine;6-(6-naphthalen-1-yl-3-pyridinyl)benzo[k]phenanthridine;6-quinolin-3-ylbenzo[k]phenanthridine?
6-isoquinolin-4-ylbenzo[k]phenanthridine;6-(2-naphthalen-1-yl-4-pyridinyl)benzo[k]phenanthridine;6-(6-naphthalen-1-yl-3-pyridinyl)benzo[k]phenanthridine;6-quinolin-3-ylbenzo[k]phenanthridine has a molecular weight of 1577.91 g/mol, XLogP of 30.36, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isoquinolin-4-ylbenzo[k]phenanthridine;6-(2-naphthalen-1-yl-4-pyridinyl)benzo[k]phenanthridine;6-(6-naphthalen-1-yl-3-pyridinyl)benzo[k]phenanthridine;6-quinolin-3-ylbenzo[k]phenanthridine is sourced from PubChem (CID 158293678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).