N-cyclohexa-1,5-dien-1-yl-7-[2-[4-[di(cyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]-N-[(1E,5Z)-hepta-1,5-dienyl]-9,9-dimethyl-2,3-dihydrofluoren-2-amine

C48H56N2 — CID 89189599

IUPACN-cyclohexa-1,5-dien-1-yl-7-[2-[4-[di(cyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]-N-[(1E,5Z)-hepta-1,5-dienyl]-9,9-dimethyl-2,3-dihydrofluoren-2-amine
SMILESC/C=C\CC/C=C/N(C1=CCCC=C1)C1C=C2C(=CC1)c1ccc(CCC3=CCC(N(C4=CC=CCC4)C4=CC=CCC4)C=C3)cc1C2(C)C
InChIInChI=1S/C48H56N2/c1-4-5-6-7-17-34-49(39-18-11-8-12-19-39)43-31-33-45-44-32-28-38(35-46(44)48(2,3)47(45)36-43)25-24-37-26-29-42(30-27-37)50(40-20-13-9-14-21-40)41-22-15-10-16-23-41/h4-5,9-11,13,15,17-20,22,26-29,32-36,42-43H,6-8,12,14,16,21,23-25,30-31H2,1-3H3/b5-4-,34-17+
InChIKeyCCPNTAFBWIMSJF-OSFDAHCHSA-N
MW660.99 g/mol
LogP12.42
Rot. Bonds12

About N-cyclohexa-1,5-dien-1-yl-7-[2-[4-[di(cyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]-N-[(1E,5Z)-hepta-1,5-dienyl]-9,9-dimethyl-2,3-dihydrofluoren-2-amine

N-cyclohexa-1,5-dien-1-yl-7-[2-[4-[di(cyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]-N-[(1E,5Z)-hepta-1,5-dienyl]-9,9-dimethyl-2,3-dihydrofluoren-2-amine (PubChem CID 89189599) has the molecular formula C48H56N2 and a molecular weight of 660.99 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-7-[2-[4-[di(cyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]-N-[(1E,5Z)-hepta-1,5-dienyl]-9,9-dimethyl-2,3-dihydrofluoren-2-amine.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-7-[2-[4-[di(cyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]-N-[(1E,5Z)-hepta-1,5-dienyl]-9,9-dimethyl-2,3-dihydrofluoren-2-amine
PubChem CID89189599
Molecular FormulaC48H56N2
Molecular Weight660.99 g/mol
Exact Mass660.44
IUPAC NameN-cyclohexa-1,5-dien-1-yl-7-[2-[4-[di(cyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]-N-[(1E,5Z)-hepta-1,5-dienyl]-9,9-dimethyl-2,3-dihydrofluoren-2-amine
SMILESC/C=C\CC/C=C/N(C1=CCCC=C1)C1C=C2C(=CC1)c1ccc(CCC3=CCC(N(C4=CC=CCC4)C4=CC=CCC4)C=C3)cc1C2(C)C
InChIInChI=1S/C48H56N2/c1-4-5-6-7-17-34-49(39-18-11-8-12-19-39)43-31-33-45-44-32-28-38(35-46(44)48(2,3)47(45)36-43)25-24-37-26-29-42(30-27-37)50(40-20-13-9-14-21-40)41-22-15-10-16-23-41/h4-5,9-11,13,15,17-20,22,26-29,32-36,42-43H,6-8,12,14,16,21,23-25,30-31H2,1-3H3/b5-4-,34-17+
InChIKeyCCPNTAFBWIMSJF-OSFDAHCHSA-N
XLogP12.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.99
LogP ≤ 512.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclohexa-1,5-dien-1-yl-7-[2-[4-[di(cyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]-N-[(1E,5Z)-hepta-1,5-dienyl]-9,9-dimethyl-2,3-dihydrofluoren-2-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 N-cyclohexa-1,5-dien-1-yl-7-[2-[4-[di(cyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]-N-[(1E,5Z)-hepta-1,5-dienyl]-9,9-dimethyl-2,3-dihydrofluoren-2-amine?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-7-[2-[4-[di(cyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]-N-[(1E,5Z)-hepta-1,5-dienyl]-9,9-dimethyl-2,3-dihydrofluoren-2-amine (CID 89189599) is N-cyclohexa-1,5-dien-1-yl-7-[2-[4-[di(cyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]-N-[(1E,5Z)-hepta-1,5-dienyl]-9,9-dimethyl-2,3-dihydrofluoren-2-amine.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-7-[2-[4-[di(cyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]-N-[(1E,5Z)-hepta-1,5-dienyl]-9,9-dimethyl-2,3-dihydrofluoren-2-amine?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-7-[2-[4-[di(cyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]-N-[(1E,5Z)-hepta-1,5-dienyl]-9,9-dimethyl-2,3-dihydrofluoren-2-amine is C/C=C\CC/C=C/N(C1=CCCC=C1)C1C=C2C(=CC1)c1ccc(CCC3=CCC(N(C4=CC=CCC4)C4=CC=CCC4)C=C3)cc1C2(C)C.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-7-[2-[4-[di(cyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]-N-[(1E,5Z)-hepta-1,5-dienyl]-9,9-dimethyl-2,3-dihydrofluoren-2-amine?
The InChIKey is CCPNTAFBWIMSJF-OSFDAHCHSA-N. The full InChI is InChI=1S/C48H56N2/c1-4-5-6-7-17-34-49(39-18-11-8-12-19-39)43-31-33-45-44-32-28-38(35-46(44)48(2,3)47(45)36-43)25-24-37-26-29-42(30-27-37)50(40-20-13-9-14-21-40)41-22-15-10-16-23-41/h4-5,9-11,13,15,17-20,22,26-29,32-36,42-43H,6-8,12,14,16,21,23-25,30-31H2,1-3H3/b5-4-,34-17+.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-7-[2-[4-[di(cyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]-N-[(1E,5Z)-hepta-1,5-dienyl]-9,9-dimethyl-2,3-dihydrofluoren-2-amine?
N-cyclohexa-1,5-dien-1-yl-7-[2-[4-[di(cyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]-N-[(1E,5Z)-hepta-1,5-dienyl]-9,9-dimethyl-2,3-dihydrofluoren-2-amine has a molecular weight of 660.99 g/mol, XLogP of 12.42, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-7-[2-[4-[di(cyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,5-dien-1-yl]ethyl]-N-[(1E,5Z)-hepta-1,5-dienyl]-9,9-dimethyl-2,3-dihydrofluoren-2-amine is sourced from PubChem (CID 89189599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).