7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine

C60H37N5 — CID 170404497

IUPAC7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine
SMILESc1ccc2cc(-c3ccc4c(ccc5cc(N(c6ccc(-c7ccc8c(ccc9ncccc98)n7)cc6)c6ccc(-c7ccc8c(ccc9ncccc98)n7)cc6)ccc54)c3)ccc2c1
InChIInChI=1S/C60H37N5/c1-2-6-41-35-42(10-9-38(41)5-1)43-17-23-49-44(36-43)11-12-45-37-48(22-24-50(45)49)65(46-18-13-39(14-19-46)55-27-25-53-51-7-3-33-61-57(51)29-31-59(53)63-55)47-20-15-40(16-21-47)56-28-26-54-52-8-4-34-62-58(52)30-32-60(54)64-56/h1-37H
InChIKeyWFJVUSSOGWQBFE-UHFFFAOYSA-N
MW827.99 g/mol
LogP15.81
Rot. Bonds6

About 7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine

7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine (PubChem CID 170404497) has the molecular formula C60H37N5 and a molecular weight of 827.99 g/mol. Its IUPAC name is 7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine.

Molecular Properties

Compound Name7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine
PubChem CID170404497
Molecular FormulaC60H37N5
Molecular Weight827.99 g/mol
Exact Mass827.30
IUPAC Name7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine
SMILESc1ccc2cc(-c3ccc4c(ccc5cc(N(c6ccc(-c7ccc8c(ccc9ncccc98)n7)cc6)c6ccc(-c7ccc8c(ccc9ncccc98)n7)cc6)ccc54)c3)ccc2c1
InChIInChI=1S/C60H37N5/c1-2-6-41-35-42(10-9-38(41)5-1)43-17-23-49-44(36-43)11-12-45-37-48(22-24-50(45)49)65(46-18-13-39(14-19-46)55-27-25-53-51-7-3-33-61-57(51)29-31-59(53)63-55)47-20-15-40(16-21-47)56-28-26-54-52-8-4-34-62-58(52)30-32-60(54)64-56/h1-37H
InChIKeyWFJVUSSOGWQBFE-UHFFFAOYSA-N
XLogP15.81
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.99
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(4-benzo[f][1,7]naphthyridin-3-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
CID 170404499
N-(4-benzo[f]quinolin-6-ylphenyl)-N-(4-benzo[f]quinolin-7-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
CID 170404939
N,N-bis(4-benzo[h][1,5]naphthyridin-2-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
CID 170404506
N-(4-naphthalen-2-ylphenyl)-7-phenyl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]phenanthren-2-amine
CID 171463410
7-isoquinolin-3-yl-N,N-bis(4-quinolin-6-ylphenyl)phenanthren-2-amine
CID 170404787
N,N-bis(4-benzo[f][1,8]naphthyridin-3-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
CID 170404500
N,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine
CID 164939243
N-(4-isoquinolin-3-ylphenyl)-4-phenanthren-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463405
N-(4-isoquinolin-7-ylphenyl)-4-phenanthren-2-yl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]aniline
CID 171463466
N-[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]-4-naphthalen-2-yl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]aniline
CID 171463278
5-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline
CID 165086971
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine?
The IUPAC name of 7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine (CID 170404497) is 7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine.
What is the SMILES notation for 7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine?
The canonical SMILES for 7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine is c1ccc2cc(-c3ccc4c(ccc5cc(N(c6ccc(-c7ccc8c(ccc9ncccc98)n7)cc6)c6ccc(-c7ccc8c(ccc9ncccc98)n7)cc6)ccc54)c3)ccc2c1.
What is the InChIKey of 7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine?
The InChIKey is WFJVUSSOGWQBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N5/c1-2-6-41-35-42(10-9-38(41)5-1)43-17-23-49-44(36-43)11-12-45-37-48(22-24-50(45)49)65(46-18-13-39(14-19-46)55-27-25-53-51-7-3-33-61-57(51)29-31-59(53)63-55)47-20-15-40(16-21-47)56-28-26-54-52-8-4-34-62-58(52)30-32-60(54)64-56/h1-37H.
What are the key properties of 7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine?
7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine has a molecular weight of 827.99 g/mol, XLogP of 15.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine is sourced from PubChem (CID 170404497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).