3-methyl-10-[3-(2-methyl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-f]phenanthridin-10-yl]-2-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-f]phenanthridine

C52H34N8 — CID 89441473

IUPAC3-methyl-10-[3-(2-methyl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-f]phenanthridin-10-yl]-2-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-f]phenanthridine
SMILESCc1ncccc1-c1c(-c2cccnc2)nc2c3ccc(-c4ccc5c(c4)c4ccccc4n4c(C)c(-c6cccnc6-c6ccccn6)nc54)cc3c3ccccc3n12
InChIInChI=1S/C52H34N8/c1-31-36(15-10-26-54-31)50-48(35-12-9-24-53-30-35)58-52-40-23-21-34(29-43(40)38-14-4-6-19-46(38)60(50)52)33-20-22-39-42(28-33)37-13-3-5-18-45(37)59-32(2)47(57-51(39)59)41-16-11-27-56-49(41)44-17-7-8-25-55-44/h3-30H,1-2H3
InChIKeyMZBRMPXJULUSIT-UHFFFAOYSA-N
MW770.90 g/mol
LogP12.13
Rot. Bonds5

About 3-methyl-10-[3-(2-methyl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-f]phenanthridin-10-yl]-2-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-f]phenanthridine

3-methyl-10-[3-(2-methyl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-f]phenanthridin-10-yl]-2-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-f]phenanthridine (PubChem CID 89441473) has the molecular formula C52H34N8 and a molecular weight of 770.90 g/mol. Its IUPAC name is 3-methyl-10-[3-(2-methyl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-f]phenanthridin-10-yl]-2-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name3-methyl-10-[3-(2-methyl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-f]phenanthridin-10-yl]-2-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-f]phenanthridine
PubChem CID89441473
Molecular FormulaC52H34N8
Molecular Weight770.90 g/mol
Exact Mass770.29
IUPAC Name3-methyl-10-[3-(2-methyl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-f]phenanthridin-10-yl]-2-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-f]phenanthridine
SMILESCc1ncccc1-c1c(-c2cccnc2)nc2c3ccc(-c4ccc5c(c4)c4ccccc4n4c(C)c(-c6cccnc6-c6ccccn6)nc54)cc3c3ccccc3n12
InChIInChI=1S/C52H34N8/c1-31-36(15-10-26-54-31)50-48(35-12-9-24-53-30-35)58-52-40-23-21-34(29-43(40)38-14-4-6-19-46(38)60(50)52)33-20-22-39-42(28-33)37-13-3-5-18-45(37)59-32(2)47(57-51(39)59)41-16-11-27-56-49(41)44-17-7-8-25-55-44/h3-30H,1-2H3
InChIKeyMZBRMPXJULUSIT-UHFFFAOYSA-N
XLogP12.13
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.90
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-10-[3-(2-methyl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-f]phenanthridin-10-yl]-2-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-f]phenanthridine?
The IUPAC name of 3-methyl-10-[3-(2-methyl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-f]phenanthridin-10-yl]-2-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-f]phenanthridine (CID 89441473) is 3-methyl-10-[3-(2-methyl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-f]phenanthridin-10-yl]-2-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-f]phenanthridine.
What is the SMILES notation for 3-methyl-10-[3-(2-methyl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-f]phenanthridin-10-yl]-2-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-f]phenanthridine?
The canonical SMILES for 3-methyl-10-[3-(2-methyl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-f]phenanthridin-10-yl]-2-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-f]phenanthridine is Cc1ncccc1-c1c(-c2cccnc2)nc2c3ccc(-c4ccc5c(c4)c4ccccc4n4c(C)c(-c6cccnc6-c6ccccn6)nc54)cc3c3ccccc3n12.
What is the InChIKey of 3-methyl-10-[3-(2-methyl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-f]phenanthridin-10-yl]-2-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-f]phenanthridine?
The InChIKey is MZBRMPXJULUSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N8/c1-31-36(15-10-26-54-31)50-48(35-12-9-24-53-30-35)58-52-40-23-21-34(29-43(40)38-14-4-6-19-46(38)60(50)52)33-20-22-39-42(28-33)37-13-3-5-18-45(37)59-32(2)47(57-51(39)59)41-16-11-27-56-49(41)44-17-7-8-25-55-44/h3-30H,1-2H3.
What are the key properties of 3-methyl-10-[3-(2-methyl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-f]phenanthridin-10-yl]-2-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-f]phenanthridine?
3-methyl-10-[3-(2-methyl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-f]phenanthridin-10-yl]-2-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-f]phenanthridine has a molecular weight of 770.90 g/mol, XLogP of 12.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-10-[3-(2-methyl-3-pyridinyl)-2-pyridin-3-ylimidazo[1,2-f]phenanthridin-10-yl]-2-(2-pyridin-2-yl-3-pyridinyl)imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 89441473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).