3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine

C40H26N4 — CID 155792666

IUPAC3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine
SMILESc1ccc2c(c1)cnc1cc(-c3ccc(-c4ccc(-c5cc(-c6ccncc6)nc(-c6ccncc6)c5)cc4)cc3)ccc12
InChIInChI=1S/C40H26N4/c1-2-4-36-34(3-1)26-43-40-23-33(13-14-37(36)40)29-9-5-27(6-10-29)28-7-11-30(12-8-28)35-24-38(31-15-19-41-20-16-31)44-39(25-35)32-17-21-42-22-18-32/h1-26H
InChIKeyYJVCKYOTLUXMOW-UHFFFAOYSA-N
MW562.68 g/mol
LogP9.91
Rot. Bonds5

About 3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine

3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine (PubChem CID 155792666) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine.

Molecular Properties

Compound Name3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine
PubChem CID155792666
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine
SMILESc1ccc2c(c1)cnc1cc(-c3ccc(-c4ccc(-c5cc(-c6ccncc6)nc(-c6ccncc6)c5)cc4)cc3)ccc12
InChIInChI=1S/C40H26N4/c1-2-4-36-34(3-1)26-43-40-23-33(13-14-37(36)40)29-9-5-27(6-10-29)28-7-11-30(12-8-28)35-24-38(31-15-19-41-20-16-31)44-39(25-35)32-17-21-42-22-18-32/h1-26H
InChIKeyYJVCKYOTLUXMOW-UHFFFAOYSA-N
XLogP9.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 59.91
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

3-(4-iodophenyl)phenanthridine
CID 144968877
2-(3-phenanthren-3-yl-5-pyridin-4-ylphenyl)-4,6-diphenylpyridine
CID 122415977
3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine
CID 155792785
3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
CID 155792486
4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline
CID 118603197
3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenanthridine
CID 155792621
7-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]indolo[1,2-a]quinoxaline
CID 145180348
6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline
CID 147418252
4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine
CID 166685143
3-pyridin-4-ylquinoline
CID 10081720
4-pyridin-4-yl-2-[7-(4-pyridin-4-yl-2-pyridinyl)triphenylen-2-yl]pyridine
CID 166504132
2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine
CID 134692019

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine?
The IUPAC name of 3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine (CID 155792666) is 3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine.
What is the SMILES notation for 3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine?
The canonical SMILES for 3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine is c1ccc2c(c1)cnc1cc(-c3ccc(-c4ccc(-c5cc(-c6ccncc6)nc(-c6ccncc6)c5)cc4)cc3)ccc12.
What is the InChIKey of 3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine?
The InChIKey is YJVCKYOTLUXMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-2-4-36-34(3-1)26-43-40-23-33(13-14-37(36)40)29-9-5-27(6-10-29)28-7-11-30(12-8-28)35-24-38(31-15-19-41-20-16-31)44-39(25-35)32-17-21-42-22-18-32/h1-26H.
What are the key properties of 3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine?
3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine has a molecular weight of 562.68 g/mol, XLogP of 9.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine is sourced from PubChem (CID 155792666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).