3-(1,3-diethyl-5-methylcyclohexyl)-10-N-(4-ethylphenyl)-9-N,10-N-bis(4-methylphenyl)-9-N-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,9a-dihydroanthracene-9,10-diamine;ethane

C58H72N2 — CID 143254543

IUPAC3-(1,3-diethyl-5-methylcyclohexyl)-10-N-(4-ethylphenyl)-9-N,10-N-bis(4-methylphenyl)-9-N-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,9a-dihydroanthracene-9,10-diamine;ethane
SMILESCC.CCc1ccc(N(C2=c3ccccc3=C(N(C3=CC=C(C(C)C)CC3)c3ccc(C)cc3)C3CC=C(C4(CC)CC(C)CC(CC)C4)C=C23)c2ccc(C)cc2)cc1
InChIInChI=1S/C56H66N2.C2H6/c1-9-42-20-29-48(30-21-42)58(47-27-18-40(7)19-28-47)55-51-15-13-12-14-50(51)54(57(46-25-16-39(6)17-26-46)49-31-22-44(23-32-49)38(4)5)52-33-24-45(35-53(52)55)56(11-3)36-41(8)34-43(10-2)37-56;1-2/h12-22,24-31,35,38,41,43,52H,9-11,23,32-34,36-37H2,1-8H3;1-2H3
InChIKeyWKGRCEYEEXNAGV-UHFFFAOYSA-N
MW797.23 g/mol
LogP14.84
Rot. Bonds11

About 3-(1,3-diethyl-5-methylcyclohexyl)-10-N-(4-ethylphenyl)-9-N,10-N-bis(4-methylphenyl)-9-N-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,9a-dihydroanthracene-9,10-diamine;ethane

3-(1,3-diethyl-5-methylcyclohexyl)-10-N-(4-ethylphenyl)-9-N,10-N-bis(4-methylphenyl)-9-N-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,9a-dihydroanthracene-9,10-diamine;ethane (PubChem CID 143254543) has the molecular formula C58H72N2 and a molecular weight of 797.23 g/mol. Its IUPAC name is 3-(1,3-diethyl-5-methylcyclohexyl)-10-N-(4-ethylphenyl)-9-N,10-N-bis(4-methylphenyl)-9-N-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,9a-dihydroanthracene-9,10-diamine;ethane.

Molecular Properties

Compound Name3-(1,3-diethyl-5-methylcyclohexyl)-10-N-(4-ethylphenyl)-9-N,10-N-bis(4-methylphenyl)-9-N-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,9a-dihydroanthracene-9,10-diamine;ethane
PubChem CID143254543
Molecular FormulaC58H72N2
Molecular Weight797.23 g/mol
Exact Mass796.57
IUPAC Name3-(1,3-diethyl-5-methylcyclohexyl)-10-N-(4-ethylphenyl)-9-N,10-N-bis(4-methylphenyl)-9-N-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,9a-dihydroanthracene-9,10-diamine;ethane
SMILESCC.CCc1ccc(N(C2=c3ccccc3=C(N(C3=CC=C(C(C)C)CC3)c3ccc(C)cc3)C3CC=C(C4(CC)CC(C)CC(CC)C4)C=C23)c2ccc(C)cc2)cc1
InChIInChI=1S/C56H66N2.C2H6/c1-9-42-20-29-48(30-21-42)58(47-27-18-40(7)19-28-47)55-51-15-13-12-14-50(51)54(57(46-25-16-39(6)17-26-46)49-31-22-44(23-32-49)38(4)5)52-33-24-45(35-53(52)55)56(11-3)36-41(8)34-43(10-2)37-56;1-2/h12-22,24-31,35,38,41,43,52H,9-11,23,32-34,36-37H2,1-8H3;1-2H3
InChIKeyWKGRCEYEEXNAGV-UHFFFAOYSA-N
XLogP14.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.23
LogP ≤ 514.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(1,3-diethyl-5-methylcyclohexyl)-10-N-(4-ethylphenyl)-9-N,10-N-bis(4-methylphenyl)-9-N-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,9a-dihydroanthracene-9,10-diamine;ethane 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 3-(1,3-diethyl-5-methylcyclohexyl)-10-N-(4-ethylphenyl)-9-N,10-N-bis(4-methylphenyl)-9-N-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,9a-dihydroanthracene-9,10-diamine;ethane?
The IUPAC name of 3-(1,3-diethyl-5-methylcyclohexyl)-10-N-(4-ethylphenyl)-9-N,10-N-bis(4-methylphenyl)-9-N-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,9a-dihydroanthracene-9,10-diamine;ethane (CID 143254543) is 3-(1,3-diethyl-5-methylcyclohexyl)-10-N-(4-ethylphenyl)-9-N,10-N-bis(4-methylphenyl)-9-N-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,9a-dihydroanthracene-9,10-diamine;ethane.
What is the SMILES notation for 3-(1,3-diethyl-5-methylcyclohexyl)-10-N-(4-ethylphenyl)-9-N,10-N-bis(4-methylphenyl)-9-N-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,9a-dihydroanthracene-9,10-diamine;ethane?
The canonical SMILES for 3-(1,3-diethyl-5-methylcyclohexyl)-10-N-(4-ethylphenyl)-9-N,10-N-bis(4-methylphenyl)-9-N-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,9a-dihydroanthracene-9,10-diamine;ethane is CC.CCc1ccc(N(C2=c3ccccc3=C(N(C3=CC=C(C(C)C)CC3)c3ccc(C)cc3)C3CC=C(C4(CC)CC(C)CC(CC)C4)C=C23)c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(1,3-diethyl-5-methylcyclohexyl)-10-N-(4-ethylphenyl)-9-N,10-N-bis(4-methylphenyl)-9-N-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,9a-dihydroanthracene-9,10-diamine;ethane?
The InChIKey is WKGRCEYEEXNAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H66N2.C2H6/c1-9-42-20-29-48(30-21-42)58(47-27-18-40(7)19-28-47)55-51-15-13-12-14-50(51)54(57(46-25-16-39(6)17-26-46)49-31-22-44(23-32-49)38(4)5)52-33-24-45(35-53(52)55)56(11-3)36-41(8)34-43(10-2)37-56;1-2/h12-22,24-31,35,38,41,43,52H,9-11,23,32-34,36-37H2,1-8H3;1-2H3.
What are the key properties of 3-(1,3-diethyl-5-methylcyclohexyl)-10-N-(4-ethylphenyl)-9-N,10-N-bis(4-methylphenyl)-9-N-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,9a-dihydroanthracene-9,10-diamine;ethane?
3-(1,3-diethyl-5-methylcyclohexyl)-10-N-(4-ethylphenyl)-9-N,10-N-bis(4-methylphenyl)-9-N-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,9a-dihydroanthracene-9,10-diamine;ethane has a molecular weight of 797.23 g/mol, XLogP of 14.84, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-diethyl-5-methylcyclohexyl)-10-N-(4-ethylphenyl)-9-N,10-N-bis(4-methylphenyl)-9-N-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-1,9a-dihydroanthracene-9,10-diamine;ethane is sourced from PubChem (CID 143254543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).