2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline

C44H26N2 — CID 134596697

IUPAC2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6c7c(cccc57)-c5ccc(-c7cccc8ccccc78)cc5-6)nc4c3n2)cc1
InChIInChI=1S/C44H26N2/c1-2-9-28(10-3-1)40-24-19-29-16-17-30-20-25-41(46-44(30)43(29)45-40)35-22-23-38-39-26-31(33-13-6-11-27-8-4-5-12-32(27)33)18-21-34(39)36-14-7-15-37(35)42(36)38/h1-26H
InChIKeyUVQZDTHOYRHXJH-UHFFFAOYSA-N
MW582.71 g/mol
LogP11.74
Rot. Bonds3

About 2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline

2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline (PubChem CID 134596697) has the molecular formula C44H26N2 and a molecular weight of 582.71 g/mol. Its IUPAC name is 2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline
PubChem CID134596697
Molecular FormulaC44H26N2
Molecular Weight582.71 g/mol
Exact Mass582.21
IUPAC Name2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6c7c(cccc57)-c5ccc(-c7cccc8ccccc78)cc5-6)nc4c3n2)cc1
InChIInChI=1S/C44H26N2/c1-2-9-28(10-3-1)40-24-19-29-16-17-30-20-25-41(46-44(30)43(29)45-40)35-22-23-38-39-26-31(33-13-6-11-27-8-4-5-12-32(27)33)18-21-34(39)36-14-7-15-37(35)42(36)38/h1-26H
InChIKeyUVQZDTHOYRHXJH-UHFFFAOYSA-N
XLogP11.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.71
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[8-(2,6-diphenylpyrimidin-4-yl)fluoranthen-3-yl]-9-phenyl-1,10-phenanthroline
CID 134596753
2-fluoranthen-3-yl-9-[4-(6-phenylpyridazin-3-yl)phenyl]-1,10-phenanthroline
CID 134167459
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline
CID 134167418
2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-(9-phenylfluoranthen-3-yl)-1,10-phenanthroline;2-phenyl-9-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[10-(4-phenylphenyl)anthracen-9-yl]-1,10-phenanthroline;2-phenyl-9-[4-(4-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline;2-phenyl-9-(6-phenylpyren-1-yl)-1,10-phenanthroline;2-phenyl-9-(7-phenyltriphenylen-2-yl)-1,10-phenanthroline;2-phenyl-9-(6,9,10-triphenylanthracen-2-yl)-1,10-phenanthroline
CID 158127061
2-[4-(8,11-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1,10-phenanthroline
CID 121460944
2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 138725024
2-[4-(4-fluoranthen-3-yl-6-phenylpyrimidin-2-yl)phenyl]-1,10-phenanthroline
CID 130264966
2-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline
CID 134167395
2-fluoranthen-3-yl-9-(4-pyridin-3-ylphenyl)-1,10-phenanthroline
CID 134167339
2-[3-[4-(3,5-dinaphthalen-1-ylphenyl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 138725059
2-phenyl-9-(4-pyren-1-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 134596590
2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline
CID 134596702

Frequently Asked Questions

What is the IUPAC name of 2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline?
The IUPAC name of 2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline (CID 134596697) is 2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline.
What is the SMILES notation for 2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline?
The canonical SMILES for 2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc6c7c(cccc57)-c5ccc(-c7cccc8ccccc78)cc5-6)nc4c3n2)cc1.
What is the InChIKey of 2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline?
The InChIKey is UVQZDTHOYRHXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2/c1-2-9-28(10-3-1)40-24-19-29-16-17-30-20-25-41(46-44(30)43(29)45-40)35-22-23-38-39-26-31(33-13-6-11-27-8-4-5-12-32(27)33)18-21-34(39)36-14-7-15-37(35)42(36)38/h1-26H.
What are the key properties of 2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline?
2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline has a molecular weight of 582.71 g/mol, XLogP of 11.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 134596697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).