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

C44H46Cl2N2 — CID 139298021

IUPACN-[(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
SMILESCc1ccc(Cl)cc1C(C)(C)C(C)/C=C/C1=C(N(c2ccccc2)c2ccccc2)/C(=C/C=C2/N(C)c3ccc(Cl)cc3C2(C)C)CC1
InChIInChI=1S/C44H46Cl2N2/c1-30-18-24-34(45)28-38(30)43(3,4)31(2)19-20-32-21-22-33(23-27-41-44(5,6)39-29-35(46)25-26-40(39)47(41)7)42(32)48(36-14-10-8-11-15-36)37-16-12-9-13-17-37/h8-20,23-29,31H,21-22H2,1-7H3/b20-19+,33-23+,41-27+
InChIKeyNMSJBCXSUYGOKC-MXZBGFCESA-N
MW673.77 g/mol
LogP12.90
Rot. Bonds8

About 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

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 (PubChem CID 139298021) has the molecular formula C44H46Cl2N2 and a molecular weight of 673.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID139298021
Molecular FormulaC44H46Cl2N2
Molecular Weight673.77 g/mol
Exact Mass672.30
IUPAC NameN-[(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
SMILESCc1ccc(Cl)cc1C(C)(C)C(C)/C=C/C1=C(N(c2ccccc2)c2ccccc2)/C(=C/C=C2/N(C)c3ccc(Cl)cc3C2(C)C)CC1
InChIInChI=1S/C44H46Cl2N2/c1-30-18-24-34(45)28-38(30)43(3,4)31(2)19-20-32-21-22-33(23-27-41-44(5,6)39-29-35(46)25-26-40(39)47(41)7)42(32)48(36-14-10-8-11-15-36)37-16-12-9-13-17-37/h8-20,23-29,31H,21-22H2,1-7H3/b20-19+,33-23+,41-27+
InChIKeyNMSJBCXSUYGOKC-MXZBGFCESA-N
XLogP12.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.77
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[2-[2-(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-5-[2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]-4-methoxy-N-(4-methoxyphenyl)aniline
CID 59171337
[(2E,5E)-2-[(2E)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium
CID 89449444
N-[2-[2-(5-chloro-1-ethenyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-5-[2-(5-chloro-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline
CID 59037026
(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
5-chloro-2-[(2E)-2-[3-[2-(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-2-methylcyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole
CID 59951550
(2E)-5-chloro-2-[(2Z,4E)-3-chloro-7-(5-chloro-2-methylphenyl)-7-methyl-6-methylideneocta-2,4-dienylidene]-1,3,3-trimethylindole
CID 122536775
N-phenyl-N-[(5E)-5-[2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-2-[2-(1,1,3-trimethylcyclopenta[a]naphthalen-2-yl)ethenyl]cyclopenten-1-yl]aniline
CID 59958554
bis(4-bromophenyl)-[(2E)-2-[(2E)-2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]-5-[2-(5-chloro-1,3,3-trimethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium
CID 162181155
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
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
diphenyl-[(5E)-2-[2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]-5-[(2E)-2-(1,3,3,5-tetramethylindol-2-ylidene)ethylidene]cyclopentylidene]azanium
CID 152774344

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(Cl)cc1C(C)(C)C(C)/C=C/C1=C(N(c2ccccc2)c2ccccc2)/C(=C/C=C2/N(C)c3ccc(Cl)cc3C2(C)C)CC1.
What is the InChIKey of 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?
The InChIKey is NMSJBCXSUYGOKC-MXZBGFCESA-N. The full InChI is InChI=1S/C44H46Cl2N2/c1-30-18-24-34(45)28-38(30)43(3,4)31(2)19-20-32-21-22-33(23-27-41-44(5,6)39-29-35(46)25-26-40(39)47(41)7)42(32)48(36-14-10-8-11-15-36)37-16-12-9-13-17-37/h8-20,23-29,31H,21-22H2,1-7H3/b20-19+,33-23+,41-27+.
What are the key properties of 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?
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 has a molecular weight of 673.77 g/mol, XLogP of 12.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139298021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).