N-(7-ethylidenedeca-1,3,5,8-tetraen-4-yl)-13-methylidene-N-phenyl-14-[2-(N-(3-phenylphenyl)anilino)prop-2-enylidene]-8,15-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-5-amine

C58H46N2O2 — CID 123458976

IUPACN-(7-ethylidenedeca-1,3,5,8-tetraen-4-yl)-13-methylidene-N-phenyl-14-[2-(N-(3-phenylphenyl)anilino)prop-2-enylidene]-8,15-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-5-amine
SMILESC=CC=C(C=CC(C=CC)=CC)N(c1ccccc1)c1ccc2c(c1)Oc1ccc3c4c(ccc-2c14)OC(=CC(=C)N(c1ccccc1)c1cccc(-c2ccccc2)c1)C3=C
InChIInChI=1S/C58H46N2O2/c1-6-19-42(8-3)29-30-45(20-7-2)60(47-26-16-11-17-27-47)49-31-32-51-52-34-36-53-57-50(33-35-54(58(52)57)62-56(51)39-49)41(5)55(61-53)37-40(4)59(46-24-14-10-15-25-46)48-28-18-23-44(38-48)43-21-12-9-13-22-43/h6-39H,2,4-5H2,1,3H3
InChIKeyINMSKNJHBHXNEJ-UHFFFAOYSA-N
MW803.02 g/mol
LogP16.21
Rot. Bonds12

About N-(7-ethylidenedeca-1,3,5,8-tetraen-4-yl)-13-methylidene-N-phenyl-14-[2-(N-(3-phenylphenyl)anilino)prop-2-enylidene]-8,15-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-5-amine

N-(7-ethylidenedeca-1,3,5,8-tetraen-4-yl)-13-methylidene-N-phenyl-14-[2-(N-(3-phenylphenyl)anilino)prop-2-enylidene]-8,15-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-5-amine (PubChem CID 123458976) has the molecular formula C58H46N2O2 and a molecular weight of 803.02 g/mol. Its IUPAC name is N-(7-ethylidenedeca-1,3,5,8-tetraen-4-yl)-13-methylidene-N-phenyl-14-[2-(N-(3-phenylphenyl)anilino)prop-2-enylidene]-8,15-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-5-amine.

Molecular Properties

Compound NameN-(7-ethylidenedeca-1,3,5,8-tetraen-4-yl)-13-methylidene-N-phenyl-14-[2-(N-(3-phenylphenyl)anilino)prop-2-enylidene]-8,15-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-5-amine
PubChem CID123458976
Molecular FormulaC58H46N2O2
Molecular Weight803.02 g/mol
Exact Mass802.36
IUPAC NameN-(7-ethylidenedeca-1,3,5,8-tetraen-4-yl)-13-methylidene-N-phenyl-14-[2-(N-(3-phenylphenyl)anilino)prop-2-enylidene]-8,15-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-5-amine
SMILESC=CC=C(C=CC(C=CC)=CC)N(c1ccccc1)c1ccc2c(c1)Oc1ccc3c4c(ccc-2c14)OC(=CC(=C)N(c1ccccc1)c1cccc(-c2ccccc2)c1)C3=C
InChIInChI=1S/C58H46N2O2/c1-6-19-42(8-3)29-30-45(20-7-2)60(47-26-16-11-17-27-47)49-31-32-51-52-34-36-53-57-50(33-35-54(58(52)57)62-56(51)39-49)41(5)55(61-53)37-40(4)59(46-24-14-10-15-25-46)48-28-18-23-44(38-48)43-21-12-9-13-22-43/h6-39H,2,4-5H2,1,3H3
InChIKeyINMSKNJHBHXNEJ-UHFFFAOYSA-N
XLogP16.21
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.02
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(7-ethylidenedeca-1,3,5,8-tetraen-4-yl)-13-methylidene-N-phenyl-14-[2-(N-(3-phenylphenyl)anilino)prop-2-enylidene]-8,15-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-5-amine with MolForge

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Related Compounds

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N-[4-[4-[dibenzothiophen-3-yl-[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 167093363
ethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 144918413
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[10-methyl-9-(2-methylphenyl)-5-phenylbenzo[b]carbazol-2-yl]-N-(4-phenylphenyl)aniline
CID 145276945
5-N-hexa-1,3,5-trien-3-yl-16-N-naphthalen-1-yl-16-N-phenanthren-9-yl-5-N-phenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,20(24),21-decaene-5,16-diamine
CID 123844825
2-N-[(3Z)-penta-1,3-dien-2-yl]-2-N-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine
CID 145083133
N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-(4-phenylphenyl)hexacyclo[11.11.0.02,21.03,8.09,14.015,20]tetracosa-1(24),2(21),3(8),4,6,9,11,13,15,17,19,22-dodecaen-6-amine
CID 167084011
ethane;1-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-pent-4-enyl-1-N,4-N-diphenylbenzene-1,4-diamine;2-methylpropane
CID 145276184
5-N,5-N-diphenyl-12-N,12-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-5,12-diamine
CID 168855809
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]amino]phenyl]phenyl]-N-phenylaniline
CID 155279550
ethane;N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(1,10-phenanthrolin-3-yl)-N-phenylaniline
CID 142805129

Frequently Asked Questions

What is the IUPAC name of N-(7-ethylidenedeca-1,3,5,8-tetraen-4-yl)-13-methylidene-N-phenyl-14-[2-(N-(3-phenylphenyl)anilino)prop-2-enylidene]-8,15-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-5-amine?
The IUPAC name of N-(7-ethylidenedeca-1,3,5,8-tetraen-4-yl)-13-methylidene-N-phenyl-14-[2-(N-(3-phenylphenyl)anilino)prop-2-enylidene]-8,15-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-5-amine (CID 123458976) is N-(7-ethylidenedeca-1,3,5,8-tetraen-4-yl)-13-methylidene-N-phenyl-14-[2-(N-(3-phenylphenyl)anilino)prop-2-enylidene]-8,15-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-5-amine.
What is the SMILES notation for N-(7-ethylidenedeca-1,3,5,8-tetraen-4-yl)-13-methylidene-N-phenyl-14-[2-(N-(3-phenylphenyl)anilino)prop-2-enylidene]-8,15-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-5-amine?
The canonical SMILES for N-(7-ethylidenedeca-1,3,5,8-tetraen-4-yl)-13-methylidene-N-phenyl-14-[2-(N-(3-phenylphenyl)anilino)prop-2-enylidene]-8,15-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-5-amine is C=CC=C(C=CC(C=CC)=CC)N(c1ccccc1)c1ccc2c(c1)Oc1ccc3c4c(ccc-2c14)OC(=CC(=C)N(c1ccccc1)c1cccc(-c2ccccc2)c1)C3=C.
What is the InChIKey of N-(7-ethylidenedeca-1,3,5,8-tetraen-4-yl)-13-methylidene-N-phenyl-14-[2-(N-(3-phenylphenyl)anilino)prop-2-enylidene]-8,15-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-5-amine?
The InChIKey is INMSKNJHBHXNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N2O2/c1-6-19-42(8-3)29-30-45(20-7-2)60(47-26-16-11-17-27-47)49-31-32-51-52-34-36-53-57-50(33-35-54(58(52)57)62-56(51)39-49)41(5)55(61-53)37-40(4)59(46-24-14-10-15-25-46)48-28-18-23-44(38-48)43-21-12-9-13-22-43/h6-39H,2,4-5H2,1,3H3.
What are the key properties of N-(7-ethylidenedeca-1,3,5,8-tetraen-4-yl)-13-methylidene-N-phenyl-14-[2-(N-(3-phenylphenyl)anilino)prop-2-enylidene]-8,15-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-5-amine?
N-(7-ethylidenedeca-1,3,5,8-tetraen-4-yl)-13-methylidene-N-phenyl-14-[2-(N-(3-phenylphenyl)anilino)prop-2-enylidene]-8,15-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-5-amine has a molecular weight of 803.02 g/mol, XLogP of 16.21, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-ethylidenedeca-1,3,5,8-tetraen-4-yl)-13-methylidene-N-phenyl-14-[2-(N-(3-phenylphenyl)anilino)prop-2-enylidene]-8,15-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaen-5-amine is sourced from PubChem (CID 123458976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).