14-ethenyl-9-(4-methylphenyl)-13-[(Z)-prop-1-enyl]-9-azahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,13,15,17,19,21-decaene;(Z)-3-imino-1,3-diphenylprop-1-en-1-amine

C49H41N3 — CID 144725826

IUPAC14-ethenyl-9-(4-methylphenyl)-13-[(Z)-prop-1-enyl]-9-azahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,13,15,17,19,21-decaene;(Z)-3-imino-1,3-diphenylprop-1-en-1-amine
SMILESC=CC1=C(/C=C\C)Cc2c1c1c(c3c4ccccc4n(-c4ccc(C)cc4)c23)Cc2ccccc2-1.[H]/N=C(/C=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H27N.C15H14N2/c1-4-10-22-20-29-31(25(22)5-2)32-26-12-7-6-11-23(26)19-28(32)33-27-13-8-9-14-30(27)35(34(29)33)24-17-15-21(3)16-18-24;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h4-18H,2,19-20H2,1,3H3;1-11,16H,17H2/b10-4-;15-11-,16-14-
InChIKeyJCYDFLPWOGXMTB-CGUKSZDXSA-N
MW671.89 g/mol
LogP11.79
Rot. Bonds6

About 14-ethenyl-9-(4-methylphenyl)-13-[(Z)-prop-1-enyl]-9-azahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,13,15,17,19,21-decaene;(Z)-3-imino-1,3-diphenylprop-1-en-1-amine

14-ethenyl-9-(4-methylphenyl)-13-[(Z)-prop-1-enyl]-9-azahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,13,15,17,19,21-decaene;(Z)-3-imino-1,3-diphenylprop-1-en-1-amine (PubChem CID 144725826) has the molecular formula C49H41N3 and a molecular weight of 671.89 g/mol. Its IUPAC name is 14-ethenyl-9-(4-methylphenyl)-13-[(Z)-prop-1-enyl]-9-azahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,13,15,17,19,21-decaene;(Z)-3-imino-1,3-diphenylprop-1-en-1-amine.

Molecular Properties

Compound Name14-ethenyl-9-(4-methylphenyl)-13-[(Z)-prop-1-enyl]-9-azahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,13,15,17,19,21-decaene;(Z)-3-imino-1,3-diphenylprop-1-en-1-amine
PubChem CID144725826
Molecular FormulaC49H41N3
Molecular Weight671.89 g/mol
Exact Mass671.33
IUPAC Name14-ethenyl-9-(4-methylphenyl)-13-[(Z)-prop-1-enyl]-9-azahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,13,15,17,19,21-decaene;(Z)-3-imino-1,3-diphenylprop-1-en-1-amine
SMILESC=CC1=C(/C=C\C)Cc2c1c1c(c3c4ccccc4n(-c4ccc(C)cc4)c23)Cc2ccccc2-1.[H]/N=C(/C=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H27N.C15H14N2/c1-4-10-22-20-29-31(25(22)5-2)32-26-12-7-6-11-23(26)19-28(32)33-27-13-8-9-14-30(27)35(34(29)33)24-17-15-21(3)16-18-24;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h4-18H,2,19-20H2,1,3H3;1-11,16H,17H2/b10-4-;15-11-,16-14-
InChIKeyJCYDFLPWOGXMTB-CGUKSZDXSA-N
XLogP11.79
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.89
LogP ≤ 511.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 14-ethenyl-9-(4-methylphenyl)-13-[(Z)-prop-1-enyl]-9-azahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,13,15,17,19,21-decaene;(Z)-3-imino-1,3-diphenylprop-1-en-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

Frequently Asked Questions

What is the IUPAC name of 14-ethenyl-9-(4-methylphenyl)-13-[(Z)-prop-1-enyl]-9-azahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,13,15,17,19,21-decaene;(Z)-3-imino-1,3-diphenylprop-1-en-1-amine?
The IUPAC name of 14-ethenyl-9-(4-methylphenyl)-13-[(Z)-prop-1-enyl]-9-azahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,13,15,17,19,21-decaene;(Z)-3-imino-1,3-diphenylprop-1-en-1-amine (CID 144725826) is 14-ethenyl-9-(4-methylphenyl)-13-[(Z)-prop-1-enyl]-9-azahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,13,15,17,19,21-decaene;(Z)-3-imino-1,3-diphenylprop-1-en-1-amine.
What is the SMILES notation for 14-ethenyl-9-(4-methylphenyl)-13-[(Z)-prop-1-enyl]-9-azahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,13,15,17,19,21-decaene;(Z)-3-imino-1,3-diphenylprop-1-en-1-amine?
The canonical SMILES for 14-ethenyl-9-(4-methylphenyl)-13-[(Z)-prop-1-enyl]-9-azahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,13,15,17,19,21-decaene;(Z)-3-imino-1,3-diphenylprop-1-en-1-amine is C=CC1=C(/C=C\C)Cc2c1c1c(c3c4ccccc4n(-c4ccc(C)cc4)c23)Cc2ccccc2-1.[H]/N=C(/C=C(\N)c1ccccc1)c1ccccc1.
What is the InChIKey of 14-ethenyl-9-(4-methylphenyl)-13-[(Z)-prop-1-enyl]-9-azahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,13,15,17,19,21-decaene;(Z)-3-imino-1,3-diphenylprop-1-en-1-amine?
The InChIKey is JCYDFLPWOGXMTB-CGUKSZDXSA-N. The full InChI is InChI=1S/C34H27N.C15H14N2/c1-4-10-22-20-29-31(25(22)5-2)32-26-12-7-6-11-23(26)19-28(32)33-27-13-8-9-14-30(27)35(34(29)33)24-17-15-21(3)16-18-24;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h4-18H,2,19-20H2,1,3H3;1-11,16H,17H2/b10-4-;15-11-,16-14-.
What are the key properties of 14-ethenyl-9-(4-methylphenyl)-13-[(Z)-prop-1-enyl]-9-azahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,13,15,17,19,21-decaene;(Z)-3-imino-1,3-diphenylprop-1-en-1-amine?
14-ethenyl-9-(4-methylphenyl)-13-[(Z)-prop-1-enyl]-9-azahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,13,15,17,19,21-decaene;(Z)-3-imino-1,3-diphenylprop-1-en-1-amine has a molecular weight of 671.89 g/mol, XLogP of 11.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-ethenyl-9-(4-methylphenyl)-13-[(Z)-prop-1-enyl]-9-azahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,13,15,17,19,21-decaene;(Z)-3-imino-1,3-diphenylprop-1-en-1-amine is sourced from PubChem (CID 144725826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).