ethane;2-methylcyclopenta-1,4-dien-1-amine;4-(1-methyl-1H-inden-5-yl)-6-[4-(3-methyl-5-phenylphenyl)phenyl]-2-naphthalen-2-yl-1,2-dihydropyridine;2-methyl-1-phenylprop-2-en-1-imine

C62H61N3 — CID 144806143

IUPACethane;2-methylcyclopenta-1,4-dien-1-amine;4-(1-methyl-1H-inden-5-yl)-6-[4-(3-methyl-5-phenylphenyl)phenyl]-2-naphthalen-2-yl-1,2-dihydropyridine;2-methyl-1-phenylprop-2-en-1-imine
SMILESCC.CC1=C(N)C=CC1.Cc1cc(-c2ccccc2)cc(-c2ccc(C3=CC(c4ccc5c(c4)C=CC5C)=CC(c4ccc5ccccc5c4)N3)cc2)c1.[H]/N=C(\C(=C)C)c1ccccc1
InChIInChI=1S/C44H35N.C10H11N.C6H9N.C2H6/c1-29-22-39(31-8-4-3-5-9-31)26-40(23-29)33-14-17-34(18-15-33)43-27-41(36-20-21-42-30(2)12-13-37(42)24-36)28-44(45-43)38-19-16-32-10-6-7-11-35(32)25-38;1-8(2)10(11)9-6-4-3-5-7-9;1-5-3-2-4-6(5)7;1-2/h3-28,30,44-45H,1-2H3;3-7,11H,1H2,2H3;2,4H,3,7H2,1H3;1-2H3/b;11-10+;;
InChIKeyXIOUHXZJPKSVIK-ZGHBDWMNSA-N
MW848.19 g/mol
LogP16.22
Rot. Bonds7

About ethane;2-methylcyclopenta-1,4-dien-1-amine;4-(1-methyl-1H-inden-5-yl)-6-[4-(3-methyl-5-phenylphenyl)phenyl]-2-naphthalen-2-yl-1,2-dihydropyridine;2-methyl-1-phenylprop-2-en-1-imine

ethane;2-methylcyclopenta-1,4-dien-1-amine;4-(1-methyl-1H-inden-5-yl)-6-[4-(3-methyl-5-phenylphenyl)phenyl]-2-naphthalen-2-yl-1,2-dihydropyridine;2-methyl-1-phenylprop-2-en-1-imine (PubChem CID 144806143) has the molecular formula C62H61N3 and a molecular weight of 848.19 g/mol. Its IUPAC name is ethane;2-methylcyclopenta-1,4-dien-1-amine;4-(1-methyl-1H-inden-5-yl)-6-[4-(3-methyl-5-phenylphenyl)phenyl]-2-naphthalen-2-yl-1,2-dihydropyridine;2-methyl-1-phenylprop-2-en-1-imine.

Molecular Properties

Compound Nameethane;2-methylcyclopenta-1,4-dien-1-amine;4-(1-methyl-1H-inden-5-yl)-6-[4-(3-methyl-5-phenylphenyl)phenyl]-2-naphthalen-2-yl-1,2-dihydropyridine;2-methyl-1-phenylprop-2-en-1-imine
PubChem CID144806143
Molecular FormulaC62H61N3
Molecular Weight848.19 g/mol
Exact Mass847.49
IUPAC Nameethane;2-methylcyclopenta-1,4-dien-1-amine;4-(1-methyl-1H-inden-5-yl)-6-[4-(3-methyl-5-phenylphenyl)phenyl]-2-naphthalen-2-yl-1,2-dihydropyridine;2-methyl-1-phenylprop-2-en-1-imine
SMILESCC.CC1=C(N)C=CC1.Cc1cc(-c2ccccc2)cc(-c2ccc(C3=CC(c4ccc5c(c4)C=CC5C)=CC(c4ccc5ccccc5c4)N3)cc2)c1.[H]/N=C(\C(=C)C)c1ccccc1
InChIInChI=1S/C44H35N.C10H11N.C6H9N.C2H6/c1-29-22-39(31-8-4-3-5-9-31)26-40(23-29)33-14-17-34(18-15-33)43-27-41(36-20-21-42-30(2)12-13-37(42)24-36)28-44(45-43)38-19-16-32-10-6-7-11-35(32)25-38;1-8(2)10(11)9-6-4-3-5-7-9;1-5-3-2-4-6(5)7;1-2/h3-28,30,44-45H,1-2H3;3-7,11H,1H2,2H3;2,4H,3,7H2,1H3;1-2H3/b;11-10+;;
InChIKeyXIOUHXZJPKSVIK-ZGHBDWMNSA-N
XLogP16.22
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.19
LogP ≤ 516.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethane;2-methylcyclopenta-1,4-dien-1-amine;4-(1-methyl-1H-inden-5-yl)-6-[4-(3-methyl-5-phenylphenyl)phenyl]-2-naphthalen-2-yl-1,2-dihydropyridine;2-methyl-1-phenylprop-2-en-1-imine with MolForge

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Related Compounds

N'-(anthracen-9-ylmethyl)-N-[4-(anthracen-9-ylmethylamino)butyl]butane-1,4-diamine
CID 11388158
N,N'-bis(9-anthrylmethyl)butane-1,4-diamine
CID 44458440
N-[naphthalen-2-yl(diphenyl)methyl]-1-phenylethanamine
CID 70697311
N-(3-aminopropyl)-N,N'-bis(naphthalen-2-ylmethyl)-N'-[3-(propan-2-ylamino)propyl]butane-1,4-diamine
CID 44412180
N,N'-bis(naphthalen-2-ylmethyl)-N,N'-bis[3-(propan-2-ylamino)propyl]butane-1,4-diamine
CID 44412223
N,N'-bis(anthracen-9-yl-methyl)cyclohexane-1,2-diamine
CID 59653650
(1S,2S)-N,N'-bis(anthracen-9-ylmethyl)-1,2-diphenylethane-1,2-diamine
CID 134962240
(E)-3-(4-fluorophenyl)-6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)hex-5-en-2-amine
CID 19038609
(E)-6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine
CID 19038617
3-(4-fluorophenyl)-6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)hex-5-en-2-amine
CID 67692758
6-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine
CID 70279599
[3-[(Z)-[5-(3,5-dimethylphenyl)-3-phenylpyrrol-2-ylidene]-phenylmethyl]-1-(2,4,6-trimethylphenyl)-1,7a-dihydroisoindol-2-yl]-difluoroborane
CID 88971465

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylcyclopenta-1,4-dien-1-amine;4-(1-methyl-1H-inden-5-yl)-6-[4-(3-methyl-5-phenylphenyl)phenyl]-2-naphthalen-2-yl-1,2-dihydropyridine;2-methyl-1-phenylprop-2-en-1-imine?
The IUPAC name of ethane;2-methylcyclopenta-1,4-dien-1-amine;4-(1-methyl-1H-inden-5-yl)-6-[4-(3-methyl-5-phenylphenyl)phenyl]-2-naphthalen-2-yl-1,2-dihydropyridine;2-methyl-1-phenylprop-2-en-1-imine (CID 144806143) is ethane;2-methylcyclopenta-1,4-dien-1-amine;4-(1-methyl-1H-inden-5-yl)-6-[4-(3-methyl-5-phenylphenyl)phenyl]-2-naphthalen-2-yl-1,2-dihydropyridine;2-methyl-1-phenylprop-2-en-1-imine.
What is the SMILES notation for ethane;2-methylcyclopenta-1,4-dien-1-amine;4-(1-methyl-1H-inden-5-yl)-6-[4-(3-methyl-5-phenylphenyl)phenyl]-2-naphthalen-2-yl-1,2-dihydropyridine;2-methyl-1-phenylprop-2-en-1-imine?
The canonical SMILES for ethane;2-methylcyclopenta-1,4-dien-1-amine;4-(1-methyl-1H-inden-5-yl)-6-[4-(3-methyl-5-phenylphenyl)phenyl]-2-naphthalen-2-yl-1,2-dihydropyridine;2-methyl-1-phenylprop-2-en-1-imine is CC.CC1=C(N)C=CC1.Cc1cc(-c2ccccc2)cc(-c2ccc(C3=CC(c4ccc5c(c4)C=CC5C)=CC(c4ccc5ccccc5c4)N3)cc2)c1.[H]/N=C(\C(=C)C)c1ccccc1.
What is the InChIKey of ethane;2-methylcyclopenta-1,4-dien-1-amine;4-(1-methyl-1H-inden-5-yl)-6-[4-(3-methyl-5-phenylphenyl)phenyl]-2-naphthalen-2-yl-1,2-dihydropyridine;2-methyl-1-phenylprop-2-en-1-imine?
The InChIKey is XIOUHXZJPKSVIK-ZGHBDWMNSA-N. The full InChI is InChI=1S/C44H35N.C10H11N.C6H9N.C2H6/c1-29-22-39(31-8-4-3-5-9-31)26-40(23-29)33-14-17-34(18-15-33)43-27-41(36-20-21-42-30(2)12-13-37(42)24-36)28-44(45-43)38-19-16-32-10-6-7-11-35(32)25-38;1-8(2)10(11)9-6-4-3-5-7-9;1-5-3-2-4-6(5)7;1-2/h3-28,30,44-45H,1-2H3;3-7,11H,1H2,2H3;2,4H,3,7H2,1H3;1-2H3/b;11-10+;;.
What are the key properties of ethane;2-methylcyclopenta-1,4-dien-1-amine;4-(1-methyl-1H-inden-5-yl)-6-[4-(3-methyl-5-phenylphenyl)phenyl]-2-naphthalen-2-yl-1,2-dihydropyridine;2-methyl-1-phenylprop-2-en-1-imine?
ethane;2-methylcyclopenta-1,4-dien-1-amine;4-(1-methyl-1H-inden-5-yl)-6-[4-(3-methyl-5-phenylphenyl)phenyl]-2-naphthalen-2-yl-1,2-dihydropyridine;2-methyl-1-phenylprop-2-en-1-imine has a molecular weight of 848.19 g/mol, XLogP of 16.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylcyclopenta-1,4-dien-1-amine;4-(1-methyl-1H-inden-5-yl)-6-[4-(3-methyl-5-phenylphenyl)phenyl]-2-naphthalen-2-yl-1,2-dihydropyridine;2-methyl-1-phenylprop-2-en-1-imine is sourced from PubChem (CID 144806143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).