2-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,10-dicyclohexyl-6-N-[(3Z)-hexa-1,3-dien-2-yl]-6-N-[(3Z,5Z)-octa-3,5-dien-2-yl]-2,3-dihydroanthracene-2,6-diamine

C52H66N2 — CID 89071231

IUPAC2-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,10-dicyclohexyl-6-N-[(3Z)-hexa-1,3-dien-2-yl]-6-N-[(3Z,5Z)-octa-3,5-dien-2-yl]-2,3-dihydroanthracene-2,6-diamine
SMILESC=C(/C=C\CC)N(c1ccc2c(C3CCCCC3)c3c(c(C4CCCCC4)c2c1)=CCC(N(C1=CCCC=C1)C1=CC=CCC1)C=3)C(C)/C=C\C=C/CC
InChIInChI=1S/C52H66N2/c1-5-7-9-14-24-40(4)53(39(3)23-8-6-2)45-33-35-47-49(37-45)51(41-25-15-10-16-26-41)48-36-34-46(38-50(48)52(47)42-27-17-11-18-28-42)54(43-29-19-12-20-30-43)44-31-21-13-22-32-44/h7-9,12,14,19,21,23-24,29,31-33,35-38,40-42,46H,3,5-6,10-11,13,15-18,20,22,25-28,30,34H2,1-2,4H3/b9-7-,23-8-,24-14-
InChIKeyFFXCHAZIEHBZAT-UHBHUXRRSA-N
MW719.11 g/mol
LogP13.24
Rot. Bonds13

About 2-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,10-dicyclohexyl-6-N-[(3Z)-hexa-1,3-dien-2-yl]-6-N-[(3Z,5Z)-octa-3,5-dien-2-yl]-2,3-dihydroanthracene-2,6-diamine

2-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,10-dicyclohexyl-6-N-[(3Z)-hexa-1,3-dien-2-yl]-6-N-[(3Z,5Z)-octa-3,5-dien-2-yl]-2,3-dihydroanthracene-2,6-diamine (PubChem CID 89071231) has the molecular formula C52H66N2 and a molecular weight of 719.11 g/mol. Its IUPAC name is 2-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,10-dicyclohexyl-6-N-[(3Z)-hexa-1,3-dien-2-yl]-6-N-[(3Z,5Z)-octa-3,5-dien-2-yl]-2,3-dihydroanthracene-2,6-diamine.

Molecular Properties

Compound Name2-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,10-dicyclohexyl-6-N-[(3Z)-hexa-1,3-dien-2-yl]-6-N-[(3Z,5Z)-octa-3,5-dien-2-yl]-2,3-dihydroanthracene-2,6-diamine
PubChem CID89071231
Molecular FormulaC52H66N2
Molecular Weight719.11 g/mol
Exact Mass718.52
IUPAC Name2-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,10-dicyclohexyl-6-N-[(3Z)-hexa-1,3-dien-2-yl]-6-N-[(3Z,5Z)-octa-3,5-dien-2-yl]-2,3-dihydroanthracene-2,6-diamine
SMILESC=C(/C=C\CC)N(c1ccc2c(C3CCCCC3)c3c(c(C4CCCCC4)c2c1)=CCC(N(C1=CCCC=C1)C1=CC=CCC1)C=3)C(C)/C=C\C=C/CC
InChIInChI=1S/C52H66N2/c1-5-7-9-14-24-40(4)53(39(3)23-8-6-2)45-33-35-47-49(37-45)51(41-25-15-10-16-26-41)48-36-34-46(38-50(48)52(47)42-27-17-11-18-28-42)54(43-29-19-12-20-30-43)44-31-21-13-22-32-44/h7-9,12,14,19,21,23-24,29,31-33,35-38,40-42,46H,3,5-6,10-11,13,15-18,20,22,25-28,30,34H2,1-2,4H3/b9-7-,23-8-,24-14-
InChIKeyFFXCHAZIEHBZAT-UHBHUXRRSA-N
XLogP13.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.11
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,10-dicyclohexyl-6-N-[(3Z)-hexa-1,3-dien-2-yl]-6-N-[(3Z,5Z)-octa-3,5-dien-2-yl]-2,3-dihydroanthracene-2,6-diamine 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 2-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,10-dicyclohexyl-6-N-[(3Z)-hexa-1,3-dien-2-yl]-6-N-[(3Z,5Z)-octa-3,5-dien-2-yl]-2,3-dihydroanthracene-2,6-diamine?
The IUPAC name of 2-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,10-dicyclohexyl-6-N-[(3Z)-hexa-1,3-dien-2-yl]-6-N-[(3Z,5Z)-octa-3,5-dien-2-yl]-2,3-dihydroanthracene-2,6-diamine (CID 89071231) is 2-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,10-dicyclohexyl-6-N-[(3Z)-hexa-1,3-dien-2-yl]-6-N-[(3Z,5Z)-octa-3,5-dien-2-yl]-2,3-dihydroanthracene-2,6-diamine.
What is the SMILES notation for 2-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,10-dicyclohexyl-6-N-[(3Z)-hexa-1,3-dien-2-yl]-6-N-[(3Z,5Z)-octa-3,5-dien-2-yl]-2,3-dihydroanthracene-2,6-diamine?
The canonical SMILES for 2-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,10-dicyclohexyl-6-N-[(3Z)-hexa-1,3-dien-2-yl]-6-N-[(3Z,5Z)-octa-3,5-dien-2-yl]-2,3-dihydroanthracene-2,6-diamine is C=C(/C=C\CC)N(c1ccc2c(C3CCCCC3)c3c(c(C4CCCCC4)c2c1)=CCC(N(C1=CCCC=C1)C1=CC=CCC1)C=3)C(C)/C=C\C=C/CC.
What is the InChIKey of 2-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,10-dicyclohexyl-6-N-[(3Z)-hexa-1,3-dien-2-yl]-6-N-[(3Z,5Z)-octa-3,5-dien-2-yl]-2,3-dihydroanthracene-2,6-diamine?
The InChIKey is FFXCHAZIEHBZAT-UHBHUXRRSA-N. The full InChI is InChI=1S/C52H66N2/c1-5-7-9-14-24-40(4)53(39(3)23-8-6-2)45-33-35-47-49(37-45)51(41-25-15-10-16-26-41)48-36-34-46(38-50(48)52(47)42-27-17-11-18-28-42)54(43-29-19-12-20-30-43)44-31-21-13-22-32-44/h7-9,12,14,19,21,23-24,29,31-33,35-38,40-42,46H,3,5-6,10-11,13,15-18,20,22,25-28,30,34H2,1-2,4H3/b9-7-,23-8-,24-14-.
What are the key properties of 2-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,10-dicyclohexyl-6-N-[(3Z)-hexa-1,3-dien-2-yl]-6-N-[(3Z,5Z)-octa-3,5-dien-2-yl]-2,3-dihydroanthracene-2,6-diamine?
2-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,10-dicyclohexyl-6-N-[(3Z)-hexa-1,3-dien-2-yl]-6-N-[(3Z,5Z)-octa-3,5-dien-2-yl]-2,3-dihydroanthracene-2,6-diamine has a molecular weight of 719.11 g/mol, XLogP of 13.24, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,10-dicyclohexyl-6-N-[(3Z)-hexa-1,3-dien-2-yl]-6-N-[(3Z,5Z)-octa-3,5-dien-2-yl]-2,3-dihydroanthracene-2,6-diamine is sourced from PubChem (CID 89071231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).