N-[(5E)-2-[(E)-4-(2,5-dimethylphenyl)-4-methyl-3-methylidenepent-1-enyl]-5-[(2E)-2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline

C45H48N2 — CID 118970694

IUPACN-[(5E)-2-[(E)-4-(2,5-dimethylphenyl)-4-methyl-3-methylidenepent-1-enyl]-5-[(2E)-2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline
SMILESC=C(/C=C/C1=C(N(c2ccccc2)c2ccccc2)/C(=C/C=C2/Nc3ccc(C)cc3C2(C)C)CC1)C(C)(C)c1cc(C)ccc1C
InChIInChI=1S/C45H48N2/c1-31-19-21-33(3)39(29-31)44(5,6)34(4)22-23-35-24-25-36(26-28-42-45(7,8)40-30-32(2)20-27-41(40)46-42)43(35)47(37-15-11-9-12-16-37)38-17-13-10-14-18-38/h9-23,26-30,46H,4,24-25H2,1-3,5-8H3/b23-22+,36-26+,42-28+
InChIKeyNIZLDDFPNUKMBH-JSDAOWOISA-N
MW616.89 g/mol
LogP12.10
Rot. Bonds8

About N-[(5E)-2-[(E)-4-(2,5-dimethylphenyl)-4-methyl-3-methylidenepent-1-enyl]-5-[(2E)-2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline

N-[(5E)-2-[(E)-4-(2,5-dimethylphenyl)-4-methyl-3-methylidenepent-1-enyl]-5-[(2E)-2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline (PubChem CID 118970694) has the molecular formula C45H48N2 and a molecular weight of 616.89 g/mol. Its IUPAC name is N-[(5E)-2-[(E)-4-(2,5-dimethylphenyl)-4-methyl-3-methylidenepent-1-enyl]-5-[(2E)-2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline.

Molecular Properties

Compound NameN-[(5E)-2-[(E)-4-(2,5-dimethylphenyl)-4-methyl-3-methylidenepent-1-enyl]-5-[(2E)-2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline
PubChem CID118970694
Molecular FormulaC45H48N2
Molecular Weight616.89 g/mol
Exact Mass616.38
IUPAC NameN-[(5E)-2-[(E)-4-(2,5-dimethylphenyl)-4-methyl-3-methylidenepent-1-enyl]-5-[(2E)-2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline
SMILESC=C(/C=C/C1=C(N(c2ccccc2)c2ccccc2)/C(=C/C=C2/Nc3ccc(C)cc3C2(C)C)CC1)C(C)(C)c1cc(C)ccc1C
InChIInChI=1S/C45H48N2/c1-31-19-21-33(3)39(29-31)44(5,6)34(4)22-23-35-24-25-36(26-28-42-45(7,8)40-30-32(2)20-27-41(40)46-42)43(35)47(37-15-11-9-12-16-37)38-17-13-10-14-18-38/h9-23,26-30,46H,4,24-25H2,1-3,5-8H3/b23-22+,36-26+,42-28+
InChIKeyNIZLDDFPNUKMBH-JSDAOWOISA-N
XLogP12.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.89
LogP ≤ 512.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-N-[2-[2-(3,3,5-trimethylindol-2-yl)ethenyl]-5-[2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]aniline
CID 59729872
2-[(2E)-5-chloro-2-[(2E)-2-[3-[(E)-4-(5-chloro-2-methylphenyl)-4-methyl-3-methylidenepent-1-enyl]-2-(N-phenylanilino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]ethanol
CID 90154526
N-[(5E)-2-[(E)-4-(5-chloro-2-methylphenyl)-3,4-dimethylpent-1-enyl]-5-[(2E)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline
CID 139298021
(2E)-2-[(2E)-2-[3-[(E)-2-(5-carbamoyl-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-2-(N-phenylanilino)cyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole-5-carboxamide
CID 170010999
4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene
CID 91449585
N-[(5E)-2-[2-(3'-methylspiro[cyclohexane-1,1'-indene]-2'-yl)ethenyl]-5-[2-(1'-methylspiro[cyclohexane-1,3'-indole]-2'-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline
CID 59958501
N-[2-[2-(1-butyl-3,3-dimethyl-2H-indol-2-yl)ethenyl]-5-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline
CID 175128070
(2E)-2-[(2E)-2-(3,3-dimethyl-1H-indol-2-ylidene)ethylidene]-6-[2-(3,3-dimethyl-1H-indol-2-ylidene)ethylidene]-N-methylcyclohexan-1-imine
CID 174001765
N-[2-[2-(3,3-dimethyl-1-phenylindol-1-ium-2-yl)ethenyl]-5-[2-(3,3-dimethyl-1-phenylindol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline
CID 76652688
bis(trifluoromethylsulfonyl)azanide;N-phenyl-N-[(5E)-2-[(E)-2-(1,3,3-trimethylbenzo[g]indol-1-ium-2-yl)ethenyl]-5-[2-(1,3,3-trimethylbenzo[g]indol-2-ylidene)ethylidene]cyclopenten-1-yl]aniline
CID 178184320
2-[(2E)-2-[(2E)-2-[3-[(E)-2-[3-(2-acetyloxyethyl)-1,1,7-trimethylbenzo[e]indol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopent-2-en-1-ylidene]ethylidene]-1,1,7-trimethylbenzo[e]indol-3-yl]ethyl acetate
CID 136960610
1,1-dimethyl-2-[5-methyl-5-(2-methyl-5,6-dihydronaphthalen-1-yl)-4-methylidenehex-2-enylidene]-6,7-dihydro-3H-benzo[e]indole;methane
CID 142022182

Frequently Asked Questions

What is the IUPAC name of N-[(5E)-2-[(E)-4-(2,5-dimethylphenyl)-4-methyl-3-methylidenepent-1-enyl]-5-[(2E)-2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline?
The IUPAC name of N-[(5E)-2-[(E)-4-(2,5-dimethylphenyl)-4-methyl-3-methylidenepent-1-enyl]-5-[(2E)-2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline (CID 118970694) is N-[(5E)-2-[(E)-4-(2,5-dimethylphenyl)-4-methyl-3-methylidenepent-1-enyl]-5-[(2E)-2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline.
What is the SMILES notation for N-[(5E)-2-[(E)-4-(2,5-dimethylphenyl)-4-methyl-3-methylidenepent-1-enyl]-5-[(2E)-2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline?
The canonical SMILES for N-[(5E)-2-[(E)-4-(2,5-dimethylphenyl)-4-methyl-3-methylidenepent-1-enyl]-5-[(2E)-2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline is C=C(/C=C/C1=C(N(c2ccccc2)c2ccccc2)/C(=C/C=C2/Nc3ccc(C)cc3C2(C)C)CC1)C(C)(C)c1cc(C)ccc1C.
What is the InChIKey of N-[(5E)-2-[(E)-4-(2,5-dimethylphenyl)-4-methyl-3-methylidenepent-1-enyl]-5-[(2E)-2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline?
The InChIKey is NIZLDDFPNUKMBH-JSDAOWOISA-N. The full InChI is InChI=1S/C45H48N2/c1-31-19-21-33(3)39(29-31)44(5,6)34(4)22-23-35-24-25-36(26-28-42-45(7,8)40-30-32(2)20-27-41(40)46-42)43(35)47(37-15-11-9-12-16-37)38-17-13-10-14-18-38/h9-23,26-30,46H,4,24-25H2,1-3,5-8H3/b23-22+,36-26+,42-28+.
What are the key properties of N-[(5E)-2-[(E)-4-(2,5-dimethylphenyl)-4-methyl-3-methylidenepent-1-enyl]-5-[(2E)-2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline?
N-[(5E)-2-[(E)-4-(2,5-dimethylphenyl)-4-methyl-3-methylidenepent-1-enyl]-5-[(2E)-2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline has a molecular weight of 616.89 g/mol, XLogP of 12.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-2-[(E)-4-(2,5-dimethylphenyl)-4-methyl-3-methylidenepent-1-enyl]-5-[(2E)-2-(3,3,5-trimethyl-1H-indol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline is sourced from PubChem (CID 118970694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).