(1Z,3Z)-1-(3,5-diphenylphenyl)-5-[(10Z)-9-methylidene-19-phenyl-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-2-yl]penta-1,3-dien-1-amine

C47H37N3 — CID 129209452

IUPAC(1Z,3Z)-1-(3,5-diphenylphenyl)-5-[(10Z)-9-methylidene-19-phenyl-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-2-yl]penta-1,3-dien-1-amine
SMILESC=C1/C=C\c2c(n(-c3ccccc3)c3ccccc23)N(C/C=C\C=C(/N)c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C47H37N3/c1-34-28-29-43-42-24-12-14-27-46(42)50(40-21-9-4-10-22-40)47(43)49(45-26-13-11-23-41(34)45)30-16-15-25-44(48)39-32-37(35-17-5-2-6-18-35)31-38(33-39)36-19-7-3-8-20-36/h2-29,31-33H,1,30,48H2/b16-15-,29-28-,44-25-
InChIKeyYIQFKHIKRPHIDK-JGUAOBKUSA-N
MW643.83 g/mol
LogP11.70
Rot. Bonds7

About (1Z,3Z)-1-(3,5-diphenylphenyl)-5-[(10Z)-9-methylidene-19-phenyl-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-2-yl]penta-1,3-dien-1-amine

(1Z,3Z)-1-(3,5-diphenylphenyl)-5-[(10Z)-9-methylidene-19-phenyl-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-2-yl]penta-1,3-dien-1-amine (PubChem CID 129209452) has the molecular formula C47H37N3 and a molecular weight of 643.83 g/mol. Its IUPAC name is (1Z,3Z)-1-(3,5-diphenylphenyl)-5-[(10Z)-9-methylidene-19-phenyl-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-2-yl]penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-1-(3,5-diphenylphenyl)-5-[(10Z)-9-methylidene-19-phenyl-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-2-yl]penta-1,3-dien-1-amine
PubChem CID129209452
Molecular FormulaC47H37N3
Molecular Weight643.83 g/mol
Exact Mass643.30
IUPAC Name(1Z,3Z)-1-(3,5-diphenylphenyl)-5-[(10Z)-9-methylidene-19-phenyl-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-2-yl]penta-1,3-dien-1-amine
SMILESC=C1/C=C\c2c(n(-c3ccccc3)c3ccccc23)N(C/C=C\C=C(/N)c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc21
InChIInChI=1S/C47H37N3/c1-34-28-29-43-42-24-12-14-27-46(42)50(40-21-9-4-10-22-40)47(43)49(45-26-13-11-23-41(34)45)30-16-15-25-44(48)39-32-37(35-17-5-2-6-18-35)31-38(33-39)36-19-7-3-8-20-36/h2-29,31-33H,1,30,48H2/b16-15-,29-28-,44-25-
InChIKeyYIQFKHIKRPHIDK-JGUAOBKUSA-N
XLogP11.70
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.83
LogP ≤ 511.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-1-(3,5-diphenylphenyl)-5-[(10Z)-9-methylidene-19-phenyl-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-2-yl]penta-1,3-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(10Z)-9-methylidene-2,19-bis(4-phenylphenyl)-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene
CID 118312773
4-[3-(4-chlorophenyl)-5-phenylphenyl]-9-phenylcarbazole
CID 176878196
5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847706
N'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide
CID 143099604
5-phenyl-11-[2-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847594
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
2-phenyl-9-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]carbazole
CID 166037119
3-[9-[4-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 171812828
3-[(2Z,4E)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-4-yl]-9-phenylcarbazole
CID 129022065
(3Z)-penta-1,3-diene;3-(9-phenylcarbazol-3-yl)-9-[2-(3-phenylphenyl)phenyl]carbazole
CID 142314955
9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole
CID 71127197
9-phenyl-4-[4-(3-phenylphenyl)carbazol-9-yl]carbazole
CID 171458457

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-(3,5-diphenylphenyl)-5-[(10Z)-9-methylidene-19-phenyl-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-2-yl]penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-1-(3,5-diphenylphenyl)-5-[(10Z)-9-methylidene-19-phenyl-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-2-yl]penta-1,3-dien-1-amine (CID 129209452) is (1Z,3Z)-1-(3,5-diphenylphenyl)-5-[(10Z)-9-methylidene-19-phenyl-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-2-yl]penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-1-(3,5-diphenylphenyl)-5-[(10Z)-9-methylidene-19-phenyl-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-2-yl]penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-1-(3,5-diphenylphenyl)-5-[(10Z)-9-methylidene-19-phenyl-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-2-yl]penta-1,3-dien-1-amine is C=C1/C=C\c2c(n(-c3ccccc3)c3ccccc23)N(C/C=C\C=C(/N)c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc21.
What is the InChIKey of (1Z,3Z)-1-(3,5-diphenylphenyl)-5-[(10Z)-9-methylidene-19-phenyl-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-2-yl]penta-1,3-dien-1-amine?
The InChIKey is YIQFKHIKRPHIDK-JGUAOBKUSA-N. The full InChI is InChI=1S/C47H37N3/c1-34-28-29-43-42-24-12-14-27-46(42)50(40-21-9-4-10-22-40)47(43)49(45-26-13-11-23-41(34)45)30-16-15-25-44(48)39-32-37(35-17-5-2-6-18-35)31-38(33-39)36-19-7-3-8-20-36/h2-29,31-33H,1,30,48H2/b16-15-,29-28-,44-25-.
What are the key properties of (1Z,3Z)-1-(3,5-diphenylphenyl)-5-[(10Z)-9-methylidene-19-phenyl-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-2-yl]penta-1,3-dien-1-amine?
(1Z,3Z)-1-(3,5-diphenylphenyl)-5-[(10Z)-9-methylidene-19-phenyl-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-2-yl]penta-1,3-dien-1-amine has a molecular weight of 643.83 g/mol, XLogP of 11.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-(3,5-diphenylphenyl)-5-[(10Z)-9-methylidene-19-phenyl-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-2-yl]penta-1,3-dien-1-amine is sourced from PubChem (CID 129209452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).