8-[2,6-bis(4-quinolin-8-ylphenyl)-4-pyridinyl]-6-naphthalen-2-ylbenzo[k]phenanthridine

C62H38N4 — CID 122665941

IUPAC8-[2,6-bis(4-quinolin-8-ylphenyl)-4-pyridinyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
SMILESc1ccc2cc(-c3nc4ccccc4c4c3cc(-c3cc(-c5ccc(-c6cccc7cccnc67)cc5)nc(-c5ccc(-c6cccc7cccnc67)cc5)c3)c3ccccc34)ccc2c1
InChIInChI=1S/C62H38N4/c1-2-12-46-35-47(32-23-39(46)11-1)62-55-38-54(51-17-3-4-18-52(51)59(55)53-19-5-6-22-56(53)66-62)48-36-57(42-28-24-40(25-29-42)49-20-7-13-44-15-9-33-63-60(44)49)65-58(37-48)43-30-26-41(27-31-43)50-21-8-14-45-16-10-34-64-61(45)50/h1-38H
InChIKeyOSWHTAAJSXHRHP-UHFFFAOYSA-N
MW839.01 g/mol
LogP16.19
Rot. Bonds6

About 8-[2,6-bis(4-quinolin-8-ylphenyl)-4-pyridinyl]-6-naphthalen-2-ylbenzo[k]phenanthridine

8-[2,6-bis(4-quinolin-8-ylphenyl)-4-pyridinyl]-6-naphthalen-2-ylbenzo[k]phenanthridine (PubChem CID 122665941) has the molecular formula C62H38N4 and a molecular weight of 839.01 g/mol. Its IUPAC name is 8-[2,6-bis(4-quinolin-8-ylphenyl)-4-pyridinyl]-6-naphthalen-2-ylbenzo[k]phenanthridine.

Molecular Properties

Compound Name8-[2,6-bis(4-quinolin-8-ylphenyl)-4-pyridinyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
PubChem CID122665941
Molecular FormulaC62H38N4
Molecular Weight839.01 g/mol
Exact Mass838.31
IUPAC Name8-[2,6-bis(4-quinolin-8-ylphenyl)-4-pyridinyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
SMILESc1ccc2cc(-c3nc4ccccc4c4c3cc(-c3cc(-c5ccc(-c6cccc7cccnc67)cc5)nc(-c5ccc(-c6cccc7cccnc67)cc5)c3)c3ccccc34)ccc2c1
InChIInChI=1S/C62H38N4/c1-2-12-46-35-47(32-23-39(46)11-1)62-55-38-54(51-17-3-4-18-52(51)59(55)53-19-5-6-22-56(53)66-62)48-36-57(42-28-24-40(25-29-42)49-20-7-13-44-15-9-33-63-60(44)49)65-58(37-48)43-30-26-41(27-31-43)50-21-8-14-45-16-10-34-64-61(45)50/h1-38H
InChIKeyOSWHTAAJSXHRHP-UHFFFAOYSA-N
XLogP16.19
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.01
LogP ≤ 516.19
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

8-[4,6-di(quinolin-8-yl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665867
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-(6-pyridin-2-yl-2-pyridinyl)phenyl]benzo[k]phenanthridine
CID 122666089
8-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665222
8-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665988
8-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665355
8-[4-[6-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline
CID 130264267
8-[4-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665606
6-(3-diphenylphosphorylphenyl)-8-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665332
8-[4-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665427
2,4-bis(4-phenylphenyl)-6-(4-quinolin-3-ylphenyl)benzo[h]quinoline;2,4-bis(4-phenylphenyl)-6-(4-quinolin-8-ylphenyl)benzo[h]quinoline
CID 159177643
6-(4-quinolin-8-ylphenyl)phenanthridin-10-ol
CID 146549143

Frequently Asked Questions

What is the IUPAC name of 8-[2,6-bis(4-quinolin-8-ylphenyl)-4-pyridinyl]-6-naphthalen-2-ylbenzo[k]phenanthridine?
The IUPAC name of 8-[2,6-bis(4-quinolin-8-ylphenyl)-4-pyridinyl]-6-naphthalen-2-ylbenzo[k]phenanthridine (CID 122665941) is 8-[2,6-bis(4-quinolin-8-ylphenyl)-4-pyridinyl]-6-naphthalen-2-ylbenzo[k]phenanthridine.
What is the SMILES notation for 8-[2,6-bis(4-quinolin-8-ylphenyl)-4-pyridinyl]-6-naphthalen-2-ylbenzo[k]phenanthridine?
The canonical SMILES for 8-[2,6-bis(4-quinolin-8-ylphenyl)-4-pyridinyl]-6-naphthalen-2-ylbenzo[k]phenanthridine is c1ccc2cc(-c3nc4ccccc4c4c3cc(-c3cc(-c5ccc(-c6cccc7cccnc67)cc5)nc(-c5ccc(-c6cccc7cccnc67)cc5)c3)c3ccccc34)ccc2c1.
What is the InChIKey of 8-[2,6-bis(4-quinolin-8-ylphenyl)-4-pyridinyl]-6-naphthalen-2-ylbenzo[k]phenanthridine?
The InChIKey is OSWHTAAJSXHRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4/c1-2-12-46-35-47(32-23-39(46)11-1)62-55-38-54(51-17-3-4-18-52(51)59(55)53-19-5-6-22-56(53)66-62)48-36-57(42-28-24-40(25-29-42)49-20-7-13-44-15-9-33-63-60(44)49)65-58(37-48)43-30-26-41(27-31-43)50-21-8-14-45-16-10-34-64-61(45)50/h1-38H.
What are the key properties of 8-[2,6-bis(4-quinolin-8-ylphenyl)-4-pyridinyl]-6-naphthalen-2-ylbenzo[k]phenanthridine?
8-[2,6-bis(4-quinolin-8-ylphenyl)-4-pyridinyl]-6-naphthalen-2-ylbenzo[k]phenanthridine has a molecular weight of 839.01 g/mol, XLogP of 16.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2,6-bis(4-quinolin-8-ylphenyl)-4-pyridinyl]-6-naphthalen-2-ylbenzo[k]phenanthridine is sourced from PubChem (CID 122665941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).