N-[4-[2-[4-[N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)anilino]phenyl]-1,2-diphenylethenyl]phenyl]-N-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine

C62H56N4 — CID 123354425

IUPACN-[4-[2-[4-[N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)anilino]phenyl]-1,2-diphenylethenyl]phenyl]-N-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine
SMILESc1ccc(C(=C(c2ccccc2)c2ccc(N(c3ccccc3)c3cc4c5c(c3)CCCN5CCC4)cc2)c2ccc(N(c3ccccc3)c3cc4c5c(c3)CCCN5CCC4)cc2)cc1
InChIInChI=1S/C62H56N4/c1-5-17-45(18-6-1)59(47-29-33-55(34-30-47)65(53-25-9-3-10-26-53)57-41-49-21-13-37-63-38-14-22-50(42-57)61(49)63)60(46-19-7-2-8-20-46)48-31-35-56(36-32-48)66(54-27-11-4-12-28-54)58-43-51-23-15-39-64-40-16-24-52(44-58)62(51)64/h1-12,17-20,25-36,41-44H,13-16,21-24,37-40H2
InChIKeyHILNYUKEWJGVMV-UHFFFAOYSA-N
MW857.16 g/mol
LogP15.03
Rot. Bonds10

About N-[4-[2-[4-[N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)anilino]phenyl]-1,2-diphenylethenyl]phenyl]-N-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine

N-[4-[2-[4-[N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)anilino]phenyl]-1,2-diphenylethenyl]phenyl]-N-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine (PubChem CID 123354425) has the molecular formula C62H56N4 and a molecular weight of 857.16 g/mol. Its IUPAC name is N-[4-[2-[4-[N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)anilino]phenyl]-1,2-diphenylethenyl]phenyl]-N-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine.

Molecular Properties

Compound NameN-[4-[2-[4-[N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)anilino]phenyl]-1,2-diphenylethenyl]phenyl]-N-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine
PubChem CID123354425
Molecular FormulaC62H56N4
Molecular Weight857.16 g/mol
Exact Mass856.45
IUPAC NameN-[4-[2-[4-[N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)anilino]phenyl]-1,2-diphenylethenyl]phenyl]-N-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine
SMILESc1ccc(C(=C(c2ccccc2)c2ccc(N(c3ccccc3)c3cc4c5c(c3)CCCN5CCC4)cc2)c2ccc(N(c3ccccc3)c3cc4c5c(c3)CCCN5CCC4)cc2)cc1
InChIInChI=1S/C62H56N4/c1-5-17-45(18-6-1)59(47-29-33-55(34-30-47)65(53-25-9-3-10-26-53)57-41-49-21-13-37-63-38-14-22-50(42-57)61(49)63)60(46-19-7-2-8-20-46)48-31-35-56(36-32-48)66(54-27-11-4-12-28-54)58-43-51-23-15-39-64-40-16-24-52(44-58)62(51)64/h1-12,17-20,25-36,41-44H,13-16,21-24,37-40H2
InChIKeyHILNYUKEWJGVMV-UHFFFAOYSA-N
XLogP15.03
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.16
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-[4-[2-[4-[N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)anilino]phenyl]-1,2-diphenylethenyl]phenyl]-N-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine with MolForge

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Related Compounds

N-methyl-N-[1-(1-methylpyridin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine
CID 76699887
1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxylic acid
CID 116993414
N,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline
CID 132556766
4-[(E)-2-(4-benzhydrylphenyl)-1,2-diphenylethenyl]-N,N-diphenylaniline
CID 70987021
3-(N-[4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-(N-(3-carboxyphenyl)anilino)anilino]anilino]anilino]phenyl]anilino)benzoic acid
CID 101061815
4-[2-[4-[10-[4-[1,2-diphenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anthracen-9-yl]phenyl]-1,2-diphenylethenyl]-N,N-diphenylaniline
CID 72511527
4-[1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl(hydroxy)methyl]benzoic acid
CID 10358831
N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-phenylbicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 121412737
N-phenyl-N-(4-phenylphenyl)-7-[4-(N-(4-phenylphenyl)anilino)phenyl]-4,5,9,10-tetrahydropyren-2-amine
CID 70991836
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethyl(triphenyl)phosphanium
CID 23420621
6-N,6-N,8-N-triphenyl-8-N-[3-[[8-(N-phenylanilino)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-yl]oxy]phenyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-6,8-diamine
CID 166890473
N,N'-bis[(E)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylideneamino]-N,N'-diphenylpentane-1,5-diamine
CID 20734211

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)anilino]phenyl]-1,2-diphenylethenyl]phenyl]-N-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine?
The IUPAC name of N-[4-[2-[4-[N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)anilino]phenyl]-1,2-diphenylethenyl]phenyl]-N-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine (CID 123354425) is N-[4-[2-[4-[N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)anilino]phenyl]-1,2-diphenylethenyl]phenyl]-N-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine.
What is the SMILES notation for N-[4-[2-[4-[N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)anilino]phenyl]-1,2-diphenylethenyl]phenyl]-N-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine?
The canonical SMILES for N-[4-[2-[4-[N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)anilino]phenyl]-1,2-diphenylethenyl]phenyl]-N-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine is c1ccc(C(=C(c2ccccc2)c2ccc(N(c3ccccc3)c3cc4c5c(c3)CCCN5CCC4)cc2)c2ccc(N(c3ccccc3)c3cc4c5c(c3)CCCN5CCC4)cc2)cc1.
What is the InChIKey of N-[4-[2-[4-[N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)anilino]phenyl]-1,2-diphenylethenyl]phenyl]-N-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine?
The InChIKey is HILNYUKEWJGVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H56N4/c1-5-17-45(18-6-1)59(47-29-33-55(34-30-47)65(53-25-9-3-10-26-53)57-41-49-21-13-37-63-38-14-22-50(42-57)61(49)63)60(46-19-7-2-8-20-46)48-31-35-56(36-32-48)66(54-27-11-4-12-28-54)58-43-51-23-15-39-64-40-16-24-52(44-58)62(51)64/h1-12,17-20,25-36,41-44H,13-16,21-24,37-40H2.
What are the key properties of N-[4-[2-[4-[N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)anilino]phenyl]-1,2-diphenylethenyl]phenyl]-N-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine?
N-[4-[2-[4-[N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)anilino]phenyl]-1,2-diphenylethenyl]phenyl]-N-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine has a molecular weight of 857.16 g/mol, XLogP of 15.03, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)anilino]phenyl]-1,2-diphenylethenyl]phenyl]-N-phenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine is sourced from PubChem (CID 123354425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).