6-[N-[2-[[(6-hydroxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol

C48H44N2O2 — CID 136799537

IUPAC6-[N-[2-[[(6-hydroxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
SMILESOc1c2ccc(c1/C(=N/CC/N=C(\c1ccccc1)c1c3ccc(c1O)CCc1ccc(cc1)CC3)c1ccccc1)CCc1ccc(cc1)CC2
InChIInChI=1S/C48H44N2O2/c51-47-41-25-21-35-15-11-33(12-16-35)19-23-37(27-29-41)43(47)45(39-7-3-1-4-8-39)49-31-32-50-46(40-9-5-2-6-10-40)44-38-24-20-34-13-17-36(18-14-34)22-26-42(30-28-38)48(44)52/h1-18,27-30,51-52H,19-26,31-32H2/b49-45+,50-46+
InChIKeyWWDPZFWGFSOBAR-XMWVESSBSA-N
MW680.89 g/mol
LogP9.24
Rot. Bonds7

About 6-[N-[2-[[(6-hydroxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol

6-[N-[2-[[(6-hydroxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol (PubChem CID 136799537) has the molecular formula C48H44N2O2 and a molecular weight of 680.89 g/mol. Its IUPAC name is 6-[N-[2-[[(6-hydroxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol.

Molecular Properties

Compound Name6-[N-[2-[[(6-hydroxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
PubChem CID136799537
Molecular FormulaC48H44N2O2
Molecular Weight680.89 g/mol
Exact Mass680.34
IUPAC Name6-[N-[2-[[(6-hydroxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
SMILESOc1c2ccc(c1/C(=N/CC/N=C(\c1ccccc1)c1c3ccc(c1O)CCc1ccc(cc1)CC3)c1ccccc1)CCc1ccc(cc1)CC2
InChIInChI=1S/C48H44N2O2/c51-47-41-25-21-35-15-11-33(12-16-35)19-23-37(27-29-41)43(47)45(39-7-3-1-4-8-39)49-31-32-50-46(40-9-5-2-6-10-40)44-38-24-20-34-13-17-36(18-14-34)22-26-42(30-28-38)48(44)52/h1-18,27-30,51-52H,19-26,31-32H2/b49-45+,50-46+
InChIKeyWWDPZFWGFSOBAR-XMWVESSBSA-N
XLogP9.24
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.89
LogP ≤ 59.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[N-[2-[[(6-hydroxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol 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 6-[N-[2-[[(6-hydroxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
The IUPAC name of 6-[N-[2-[[(6-hydroxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol (CID 136799537) is 6-[N-[2-[[(6-hydroxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol.
What is the SMILES notation for 6-[N-[2-[[(6-hydroxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
The canonical SMILES for 6-[N-[2-[[(6-hydroxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol is Oc1c2ccc(c1/C(=N/CC/N=C(\c1ccccc1)c1c3ccc(c1O)CCc1ccc(cc1)CC3)c1ccccc1)CCc1ccc(cc1)CC2.
What is the InChIKey of 6-[N-[2-[[(6-hydroxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
The InChIKey is WWDPZFWGFSOBAR-XMWVESSBSA-N. The full InChI is InChI=1S/C48H44N2O2/c51-47-41-25-21-35-15-11-33(12-16-35)19-23-37(27-29-41)43(47)45(39-7-3-1-4-8-39)49-31-32-50-46(40-9-5-2-6-10-40)44-38-24-20-34-13-17-36(18-14-34)22-26-42(30-28-38)48(44)52/h1-18,27-30,51-52H,19-26,31-32H2/b49-45+,50-46+.
What are the key properties of 6-[N-[2-[[(6-hydroxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol?
6-[N-[2-[[(6-hydroxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol has a molecular weight of 680.89 g/mol, XLogP of 9.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[N-[2-[[(6-hydroxy-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol is sourced from PubChem (CID 136799537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).