N'-[[1-[8-[4-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]naphthalen-2-yl]ethylamino]-phenylmethyl]-1-phenylmethanediamine

C49H44N4 — CID 134444955

IUPACN'-[[1-[8-[4-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]naphthalen-2-yl]ethylamino]-phenylmethyl]-1-phenylmethanediamine
SMILESCC(NC(NC(N)c1ccccc1)c1ccccc1)c1ccc2cccc(-c3ccc(C4C=C(c5ccccc5)C=C(c5ccccc5)N4)cc3)c2c1
InChIInChI=1S/C49H44N4/c1-34(51-49(41-21-12-5-13-22-41)53-48(50)40-19-10-4-11-20-40)42-30-27-36-23-14-24-44(45(36)31-42)37-25-28-39(29-26-37)47-33-43(35-15-6-2-7-16-35)32-46(52-47)38-17-8-3-9-18-38/h2-34,47-49,51-53H,50H2,1H3
InChIKeyQZHJCLGONXOHSF-UHFFFAOYSA-N
MW688.92 g/mol
LogP10.87
Rot. Bonds11

About N'-[[1-[8-[4-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]naphthalen-2-yl]ethylamino]-phenylmethyl]-1-phenylmethanediamine

N'-[[1-[8-[4-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]naphthalen-2-yl]ethylamino]-phenylmethyl]-1-phenylmethanediamine (PubChem CID 134444955) has the molecular formula C49H44N4 and a molecular weight of 688.92 g/mol. Its IUPAC name is N'-[[1-[8-[4-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]naphthalen-2-yl]ethylamino]-phenylmethyl]-1-phenylmethanediamine.

Molecular Properties

Compound NameN'-[[1-[8-[4-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]naphthalen-2-yl]ethylamino]-phenylmethyl]-1-phenylmethanediamine
PubChem CID134444955
Molecular FormulaC49H44N4
Molecular Weight688.92 g/mol
Exact Mass688.36
IUPAC NameN'-[[1-[8-[4-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]naphthalen-2-yl]ethylamino]-phenylmethyl]-1-phenylmethanediamine
SMILESCC(NC(NC(N)c1ccccc1)c1ccccc1)c1ccc2cccc(-c3ccc(C4C=C(c5ccccc5)C=C(c5ccccc5)N4)cc3)c2c1
InChIInChI=1S/C49H44N4/c1-34(51-49(41-21-12-5-13-22-41)53-48(50)40-19-10-4-11-20-40)42-30-27-36-23-14-24-44(45(36)31-42)37-25-28-39(29-26-37)47-33-43(35-15-6-2-7-16-35)32-46(52-47)38-17-8-3-9-18-38/h2-34,47-49,51-53H,50H2,1H3
InChIKeyQZHJCLGONXOHSF-UHFFFAOYSA-N
XLogP10.87
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.92
LogP ≤ 510.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,2-dihydropyridine
CID 145212320
6-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline
CID 121441241
4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-xanthene]-9-yl-1,2-dihydropyridine
CID 142293409
4,6-diphenyl-2-(8-pyren-1-yldibenzofuran-5-ium-1-yl)-1,2-dihydropyridine
CID 142352868
4-[3-(3-methyl-1,2-dihydropyridin-6-yl)-5-phenanthren-9-ylphenyl]-2,6-diphenyl-1,2-dihydropyridine
CID 130180936
N'-[(benzo[a]anthracen-7-ylmethylamino)-[2-(4-phenylphenyl)phenyl]methyl]-1-phenylmethanediamine
CID 167253046
9-[3-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135163040
9-[3-(6-naphthalen-2-yl-4-phenyl-1,2-dihydropyridin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135162788
(1R)-N-[(1S)-1-phenanthren-2-ylethyl]-1-phenylethanamine
CID 102238252
6-[9-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 118587049
N-(1-naphthalen-2-ylethyl)-1-phenylethanamine
CID 22011039
1-phenyl-N'-[(E)-4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenyl]pent-3-en-2-yl]methanediamine
CID 174300833

Frequently Asked Questions

What is the IUPAC name of N'-[[1-[8-[4-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]naphthalen-2-yl]ethylamino]-phenylmethyl]-1-phenylmethanediamine?
The IUPAC name of N'-[[1-[8-[4-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]naphthalen-2-yl]ethylamino]-phenylmethyl]-1-phenylmethanediamine (CID 134444955) is N'-[[1-[8-[4-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]naphthalen-2-yl]ethylamino]-phenylmethyl]-1-phenylmethanediamine.
What is the SMILES notation for N'-[[1-[8-[4-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]naphthalen-2-yl]ethylamino]-phenylmethyl]-1-phenylmethanediamine?
The canonical SMILES for N'-[[1-[8-[4-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]naphthalen-2-yl]ethylamino]-phenylmethyl]-1-phenylmethanediamine is CC(NC(NC(N)c1ccccc1)c1ccccc1)c1ccc2cccc(-c3ccc(C4C=C(c5ccccc5)C=C(c5ccccc5)N4)cc3)c2c1.
What is the InChIKey of N'-[[1-[8-[4-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]naphthalen-2-yl]ethylamino]-phenylmethyl]-1-phenylmethanediamine?
The InChIKey is QZHJCLGONXOHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H44N4/c1-34(51-49(41-21-12-5-13-22-41)53-48(50)40-19-10-4-11-20-40)42-30-27-36-23-14-24-44(45(36)31-42)37-25-28-39(29-26-37)47-33-43(35-15-6-2-7-16-35)32-46(52-47)38-17-8-3-9-18-38/h2-34,47-49,51-53H,50H2,1H3.
What are the key properties of N'-[[1-[8-[4-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]naphthalen-2-yl]ethylamino]-phenylmethyl]-1-phenylmethanediamine?
N'-[[1-[8-[4-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]naphthalen-2-yl]ethylamino]-phenylmethyl]-1-phenylmethanediamine has a molecular weight of 688.92 g/mol, XLogP of 10.87, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-[8-[4-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]naphthalen-2-yl]ethylamino]-phenylmethyl]-1-phenylmethanediamine is sourced from PubChem (CID 134444955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).