N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1H-inden-5-amine

C50H46N2O2 — CID 70938531

IUPACN-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1H-inden-5-amine
SMILESCOc1ccc(N(c2ccc(C3=CCC(c4ccc(N(c5ccc(OC)cc5)c5ccc6c(c5)CCC6)cc4)C=C3)cc2)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C50H46N2O2/c1-53-49-29-25-45(26-30-49)51(47-23-17-35-5-3-7-41(35)33-47)43-19-13-39(14-20-43)37-9-11-38(12-10-37)40-15-21-44(22-16-40)52(46-27-31-50(54-2)32-28-46)48-24-18-36-6-4-8-42(36)34-48/h9-11,13-34,38H,3-8,12H2,1-2H3
InChIKeyOYTOGUMLMHPWLW-UHFFFAOYSA-N
MW706.93 g/mol
LogP12.75
Rot. Bonds10

About N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1H-inden-5-amine

N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 70938531) has the molecular formula C50H46N2O2 and a molecular weight of 706.93 g/mol. Its IUPAC name is N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1H-inden-5-amine
PubChem CID70938531
Molecular FormulaC50H46N2O2
Molecular Weight706.93 g/mol
Exact Mass706.36
IUPAC NameN-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1H-inden-5-amine
SMILESCOc1ccc(N(c2ccc(C3=CCC(c4ccc(N(c5ccc(OC)cc5)c5ccc6c(c5)CCC6)cc4)C=C3)cc2)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C50H46N2O2/c1-53-49-29-25-45(26-30-49)51(47-23-17-35-5-3-7-41(35)33-47)43-19-13-39(14-20-43)37-9-11-38(12-10-37)40-15-21-44(22-16-40)52(46-27-31-50(54-2)32-28-46)48-24-18-36-6-4-8-42(36)34-48/h9-11,13-34,38H,3-8,12H2,1-2H3
InChIKeyOYTOGUMLMHPWLW-UHFFFAOYSA-N
XLogP12.75
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.93
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1H-inden-5-amine with MolForge

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Related Compounds

1-methoxy-4-[4-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene
CID 144731565
[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]phenyl]anilino]phenyl]methanol
CID 59148670
4-(4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 134194276
5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 174495495
N-[4-[4-[4-(N-(4a-methyl-4H-naphthalen-2-yl)anilino)phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 134320918
N,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline
CID 122449104
2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluorene-2,7-diamine
CID 161479065
N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-ethylanilino]phenyl]phenyl]phenyl]-N-(4-ethylphenyl)-2,3-dihydro-1H-inden-5-amine
CID 59383746
1-(4-ethoxycyclohexa-2,4-dien-1-yl)-4-methoxybenzene
CID 167163425
4-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline
CID 170652852
14-(4-methoxy-N-(4-methoxyphenyl)anilino)tricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-5,8-dicarbonitrile
CID 166882295
9,9-dimethyl-7-(4-phenylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170181217

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1H-inden-5-amine (CID 70938531) is N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1H-inden-5-amine is COc1ccc(N(c2ccc(C3=CCC(c4ccc(N(c5ccc(OC)cc5)c5ccc6c(c5)CCC6)cc4)C=C3)cc2)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is OYTOGUMLMHPWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H46N2O2/c1-53-49-29-25-45(26-30-49)51(47-23-17-35-5-3-7-41(35)33-47)43-19-13-39(14-20-43)37-9-11-38(12-10-37)40-15-21-44(22-16-40)52(46-27-31-50(54-2)32-28-46)48-24-18-36-6-4-8-42(36)34-48/h9-11,13-34,38H,3-8,12H2,1-2H3.
What are the key properties of N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1H-inden-5-amine?
N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 706.93 g/mol, XLogP of 12.75, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 70938531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).