5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-fluorobenzo[b][1,10]phenanthroline

C43H26FN5 — CID 137472731

IUPAC5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-fluorobenzo[b][1,10]phenanthroline
SMILESFc1ccc2nc3c(cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)c4cccnc43)cc2c1
InChIInChI=1S/C43H26FN5/c44-35-19-20-38-33(25-35)24-34-26-37(36-18-9-21-45-40(36)39(34)46-38)31-16-7-14-29(22-31)30-15-8-17-32(23-30)43-48-41(27-10-3-1-4-11-27)47-42(49-43)28-12-5-2-6-13-28/h1-26H
InChIKeyXWMUWTIFIQDMFE-UHFFFAOYSA-N
MW631.71 g/mol
LogP10.60
Rot. Bonds5

About 5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-fluorobenzo[b][1,10]phenanthroline

5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-fluorobenzo[b][1,10]phenanthroline (PubChem CID 137472731) has the molecular formula C43H26FN5 and a molecular weight of 631.71 g/mol. Its IUPAC name is 5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-fluorobenzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-fluorobenzo[b][1,10]phenanthroline
PubChem CID137472731
Molecular FormulaC43H26FN5
Molecular Weight631.71 g/mol
Exact Mass631.22
IUPAC Name5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-fluorobenzo[b][1,10]phenanthroline
SMILESFc1ccc2nc3c(cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)c4cccnc43)cc2c1
InChIInChI=1S/C43H26FN5/c44-35-19-20-38-33(25-35)24-34-26-37(36-18-9-21-45-40(36)39(34)46-38)31-16-7-14-29(22-31)30-15-8-17-32(23-30)43-48-41(27-10-3-1-4-11-27)47-42(49-43)28-12-5-2-6-13-28/h1-26H
InChIKeyXWMUWTIFIQDMFE-UHFFFAOYSA-N
XLogP10.60
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.71
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-fluorobenzo[b][1,10]phenanthroline with MolForge

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Related Compounds

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N-[4-(3-aminocyclohexen-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)quinazolin-8-amine
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5-phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)quinazolin-4-amine
CID 51030636
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine
CID 51030641
N-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
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CID 68204896
5-phenyl-2-pyridin-4-yl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 68204907
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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-fluorobenzo[b][1,10]phenanthroline?
The IUPAC name of 5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-fluorobenzo[b][1,10]phenanthroline (CID 137472731) is 5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-fluorobenzo[b][1,10]phenanthroline.
What is the SMILES notation for 5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-fluorobenzo[b][1,10]phenanthroline?
The canonical SMILES for 5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-fluorobenzo[b][1,10]phenanthroline is Fc1ccc2nc3c(cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)c4cccnc43)cc2c1.
What is the InChIKey of 5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-fluorobenzo[b][1,10]phenanthroline?
The InChIKey is XWMUWTIFIQDMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26FN5/c44-35-19-20-38-33(25-35)24-34-26-37(36-18-9-21-45-40(36)39(34)46-38)31-16-7-14-29(22-31)30-15-8-17-32(23-30)43-48-41(27-10-3-1-4-11-27)47-42(49-43)28-12-5-2-6-13-28/h1-26H.
What are the key properties of 5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-fluorobenzo[b][1,10]phenanthroline?
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-fluorobenzo[b][1,10]phenanthroline has a molecular weight of 631.71 g/mol, XLogP of 10.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-fluorobenzo[b][1,10]phenanthroline is sourced from PubChem (CID 137472731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).