2-fluoranthen-3-yl-9-[4-(6-phenylpyridazin-3-yl)phenyl]-1,10-phenanthroline

C44H26N4 — CID 134167459

IUPAC2-fluoranthen-3-yl-9-[4-(6-phenylpyridazin-3-yl)phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc5ccc6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)nc6c5n4)cc3)nn2)cc1
InChIInChI=1S/C44H26N4/c1-2-7-27(8-3-1)39-25-26-40(48-47-39)29-15-13-28(14-16-29)38-23-19-30-17-18-31-20-24-41(46-44(31)43(30)45-38)34-21-22-37-33-10-5-4-9-32(33)35-11-6-12-36(34)42(35)37/h1-26H
InChIKeyBSCIEEXYJBRIMV-UHFFFAOYSA-N
MW610.72 g/mol
LogP11.04
Rot. Bonds4

About 2-fluoranthen-3-yl-9-[4-(6-phenylpyridazin-3-yl)phenyl]-1,10-phenanthroline

2-fluoranthen-3-yl-9-[4-(6-phenylpyridazin-3-yl)phenyl]-1,10-phenanthroline (PubChem CID 134167459) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 2-fluoranthen-3-yl-9-[4-(6-phenylpyridazin-3-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-fluoranthen-3-yl-9-[4-(6-phenylpyridazin-3-yl)phenyl]-1,10-phenanthroline
PubChem CID134167459
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name2-fluoranthen-3-yl-9-[4-(6-phenylpyridazin-3-yl)phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc5ccc6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)nc6c5n4)cc3)nn2)cc1
InChIInChI=1S/C44H26N4/c1-2-7-27(8-3-1)39-25-26-40(48-47-39)29-15-13-28(14-16-29)38-23-19-30-17-18-31-20-24-41(46-44(31)43(30)45-38)34-21-22-37-33-10-5-4-9-32(33)35-11-6-12-36(34)42(35)37/h1-26H
InChIKeyBSCIEEXYJBRIMV-UHFFFAOYSA-N
XLogP11.04
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 511.04
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

2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline
CID 134167418
2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline
CID 134596697
2-[8-(2,6-diphenylpyrimidin-4-yl)fluoranthen-3-yl]-9-phenyl-1,10-phenanthroline
CID 134596753
2-fluoranthen-3-yl-9-(4-pyridin-3-ylphenyl)-1,10-phenanthroline
CID 134167339
2-phenyl-9-(4-pyren-1-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 134596590
2-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline
CID 134167395
2-[4-(4-fluoranthen-3-yl-6-phenylpyrimidin-2-yl)phenyl]-1,10-phenanthroline
CID 130264966
2-phenyl-9-[5-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 145221322
2-[4-(8,11-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1,10-phenanthroline
CID 121460944
2-(3-dibenzothiophen-2-ylphenyl)-9-fluoranthen-3-yl-1,10-phenanthroline
CID 90050017
2-phenyl-9-[4-[2-[2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010512
2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 138725024

Frequently Asked Questions

What is the IUPAC name of 2-fluoranthen-3-yl-9-[4-(6-phenylpyridazin-3-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of 2-fluoranthen-3-yl-9-[4-(6-phenylpyridazin-3-yl)phenyl]-1,10-phenanthroline (CID 134167459) is 2-fluoranthen-3-yl-9-[4-(6-phenylpyridazin-3-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-fluoranthen-3-yl-9-[4-(6-phenylpyridazin-3-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-fluoranthen-3-yl-9-[4-(6-phenylpyridazin-3-yl)phenyl]-1,10-phenanthroline is c1ccc(-c2ccc(-c3ccc(-c4ccc5ccc6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)nc6c5n4)cc3)nn2)cc1.
What is the InChIKey of 2-fluoranthen-3-yl-9-[4-(6-phenylpyridazin-3-yl)phenyl]-1,10-phenanthroline?
The InChIKey is BSCIEEXYJBRIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c1-2-7-27(8-3-1)39-25-26-40(48-47-39)29-15-13-28(14-16-29)38-23-19-30-17-18-31-20-24-41(46-44(31)43(30)45-38)34-21-22-37-33-10-5-4-9-32(33)35-11-6-12-36(34)42(35)37/h1-26H.
What are the key properties of 2-fluoranthen-3-yl-9-[4-(6-phenylpyridazin-3-yl)phenyl]-1,10-phenanthroline?
2-fluoranthen-3-yl-9-[4-(6-phenylpyridazin-3-yl)phenyl]-1,10-phenanthroline has a molecular weight of 610.72 g/mol, XLogP of 11.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoranthen-3-yl-9-[4-(6-phenylpyridazin-3-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 134167459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).