1-N-(3-cyclohexa-1,3-dien-1-ylphenyl)-5-N-(3-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-1-N-(1,2,3,4,5,6,8,9,10,11-decahydronaphtho[2,1-b][1]benzofuran-9-yl)-7,7-dimethyl-5-N-(3,4,8,9-tetrahydronaphtho[2,1-b][1]benzofuran-9-yl)-4,5,6,6a,8,9,9a,9b-octahydrophenalene-1,5-diamine

C71H78N2O2 — CID 154947623

IUPAC1-N-(3-cyclohexa-1,3-dien-1-ylphenyl)-5-N-(3-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-1-N-(1,2,3,4,5,6,8,9,10,11-decahydronaphtho[2,1-b][1]benzofuran-9-yl)-7,7-dimethyl-5-N-(3,4,8,9-tetrahydronaphtho[2,1-b][1]benzofuran-9-yl)-4,5,6,6a,8,9,9a,9b-octahydrophenalene-1,5-diamine
SMILESCC1(C)CCC2C(N(c3cccc(C4=CC=CCC4)c3)C3CCc4c(oc5c4C4=C(CCCC4)CC5)C3)=CC=C3CC(N(C4C=C(C5C=CCCC5)C=CC4)C4C=Cc5c(oc6ccc7c(c56)C=CCC7)C4)CC1C32
InChIInChI=1S/C71H78N2O2/c1-71(2)38-37-59-63(73(53-24-14-22-50(40-53)46-17-7-4-8-18-46)55-31-33-61-67(44-55)75-65-36-29-48-20-10-12-26-58(48)70(61)65)34-27-51-41-56(42-62(71)68(51)59)72(52-23-13-21-49(39-52)45-15-5-3-6-16-45)54-30-32-60-66(43-54)74-64-35-28-47-19-9-11-25-57(47)69(60)64/h4-5,7,11,13-15,17,21-22,24-25,27-28,30,32,34-35,39-40,45,52,54-56,59,62,68H,3,6,8-10,12,16,18-20,23,26,29,31,33,36-38,41-44H2,1-2H3
InChIKeyDPMIXUNMPQZLIN-UHFFFAOYSA-N
MW991.42 g/mol
LogP17.56
Rot. Bonds8

About 1-N-(3-cyclohexa-1,3-dien-1-ylphenyl)-5-N-(3-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-1-N-(1,2,3,4,5,6,8,9,10,11-decahydronaphtho[2,1-b][1]benzofuran-9-yl)-7,7-dimethyl-5-N-(3,4,8,9-tetrahydronaphtho[2,1-b][1]benzofuran-9-yl)-4,5,6,6a,8,9,9a,9b-octahydrophenalene-1,5-diamine

1-N-(3-cyclohexa-1,3-dien-1-ylphenyl)-5-N-(3-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-1-N-(1,2,3,4,5,6,8,9,10,11-decahydronaphtho[2,1-b][1]benzofuran-9-yl)-7,7-dimethyl-5-N-(3,4,8,9-tetrahydronaphtho[2,1-b][1]benzofuran-9-yl)-4,5,6,6a,8,9,9a,9b-octahydrophenalene-1,5-diamine (PubChem CID 154947623) has the molecular formula C71H78N2O2 and a molecular weight of 991.42 g/mol. Its IUPAC name is 1-N-(3-cyclohexa-1,3-dien-1-ylphenyl)-5-N-(3-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-1-N-(1,2,3,4,5,6,8,9,10,11-decahydronaphtho[2,1-b][1]benzofuran-9-yl)-7,7-dimethyl-5-N-(3,4,8,9-tetrahydronaphtho[2,1-b][1]benzofuran-9-yl)-4,5,6,6a,8,9,9a,9b-octahydrophenalene-1,5-diamine.

Molecular Properties

Compound Name1-N-(3-cyclohexa-1,3-dien-1-ylphenyl)-5-N-(3-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-1-N-(1,2,3,4,5,6,8,9,10,11-decahydronaphtho[2,1-b][1]benzofuran-9-yl)-7,7-dimethyl-5-N-(3,4,8,9-tetrahydronaphtho[2,1-b][1]benzofuran-9-yl)-4,5,6,6a,8,9,9a,9b-octahydrophenalene-1,5-diamine
PubChem CID154947623
Molecular FormulaC71H78N2O2
Molecular Weight991.42 g/mol
Exact Mass990.61
IUPAC Name1-N-(3-cyclohexa-1,3-dien-1-ylphenyl)-5-N-(3-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-1-N-(1,2,3,4,5,6,8,9,10,11-decahydronaphtho[2,1-b][1]benzofuran-9-yl)-7,7-dimethyl-5-N-(3,4,8,9-tetrahydronaphtho[2,1-b][1]benzofuran-9-yl)-4,5,6,6a,8,9,9a,9b-octahydrophenalene-1,5-diamine
SMILESCC1(C)CCC2C(N(c3cccc(C4=CC=CCC4)c3)C3CCc4c(oc5c4C4=C(CCCC4)CC5)C3)=CC=C3CC(N(C4C=C(C5C=CCCC5)C=CC4)C4C=Cc5c(oc6ccc7c(c56)C=CCC7)C4)CC1C32
InChIInChI=1S/C71H78N2O2/c1-71(2)38-37-59-63(73(53-24-14-22-50(40-53)46-17-7-4-8-18-46)55-31-33-61-67(44-55)75-65-36-29-48-20-10-12-26-58(48)70(61)65)34-27-51-41-56(42-62(71)68(51)59)72(52-23-13-21-49(39-52)45-15-5-3-6-16-45)54-30-32-60-66(43-54)74-64-35-28-47-19-9-11-25-57(47)69(60)64/h4-5,7,11,13-15,17,21-22,24-25,27-28,30,32,34-35,39-40,45,52,54-56,59,62,68H,3,6,8-10,12,16,18-20,23,26,29,31,33,36-38,41-44H2,1-2H3
InChIKeyDPMIXUNMPQZLIN-UHFFFAOYSA-N
XLogP17.56
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.42
LogP ≤ 517.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N-(3-cyclohexa-1,3-dien-1-ylphenyl)-5-N-(3-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-1-N-(1,2,3,4,5,6,8,9,10,11-decahydronaphtho[2,1-b][1]benzofuran-9-yl)-7,7-dimethyl-5-N-(3,4,8,9-tetrahydronaphtho[2,1-b][1]benzofuran-9-yl)-4,5,6,6a,8,9,9a,9b-octahydrophenalene-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-N-(3-cyclohexa-1,3-dien-1-ylcyclohexyl)-3-N-(3-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-3-N-(9,9-dimethyl-1,4,4a,4b,8a,9a-hexahydrofluoren-3-yl)-8-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-3-yl)-3,4-dihydronaphtho[3,2-b][1]benzofuran-3,8-diamine
CID 139574510
N-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-(9-methyl-9,10-dihydro-8H-cyclohepta[b][1]benzofuran-4-yl)-7-phenylnaphtho[1,2-b][1]benzofuran-5-amine
CID 155440781
13-cyclohexa-1,3-dien-1-yl-3-methyl-16-oxa-4,14-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,8,10(15),11-tetraene
CID 167073852
8-[3-(6-cyclohexa-1,3-dien-1-yl-1,2,3,5,6,7,8,8a-octahydro-1,8-naphthyridin-3-yl)cyclohexa-2,4-dien-1-yl]-22-(2-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),19-nonaene
CID 129310696
5-N-(4-cyclohexa-1,3-dien-1-ylcyclohex-3-en-1-yl)-1-N-(4-cyclohexa-1,3-dien-1-ylcyclohexyl)-1-N,5-N-bis[4-(cyclohexen-1-yl)cyclohexyl]-7,7-dimethyl-1,2,3,3a,4,5,6,6a,8,9,9a,9b-dodecahydrophenalene-1,5-diamine
CID 154947603
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-phenyl-N-(3-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-amine;methanamine
CID 142352999
N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)-7-methylspiro[4b,7,8,8a-tetrahydrofluorene-9,9'-fluorene]-2-amine
CID 178089659
N-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-4,5,6,7-tetrahydro-1-benzofuran-7-yl]cyclohexa-2,4-dien-1-yl]-N-[6-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-5,6-dihydrofluoren-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]-3-dibenzofuran-4-ylaniline
CID 156827013
2-cyclohexa-2,4-dien-1-yl-7-[3-[3-[5-cyclohexa-2,4-dien-1-yl-7-(4-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-yl)-6-methyl-4,5-dihydro-1H-azepin-2-yl]phenyl]cyclohexa-1,5-dien-1-yl]-1-cyclopent-2-en-1-yl-4-methylidene-6-phenyl-10,11-dihydrobenzo[a]quinolizine
CID 155029604
N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine
CID 155371764
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[3-cyclohexa-1,3-dien-1-yl-4-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 134194351
N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 138723735

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyclohexa-1,3-dien-1-ylphenyl)-5-N-(3-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-1-N-(1,2,3,4,5,6,8,9,10,11-decahydronaphtho[2,1-b][1]benzofuran-9-yl)-7,7-dimethyl-5-N-(3,4,8,9-tetrahydronaphtho[2,1-b][1]benzofuran-9-yl)-4,5,6,6a,8,9,9a,9b-octahydrophenalene-1,5-diamine?
The IUPAC name of 1-N-(3-cyclohexa-1,3-dien-1-ylphenyl)-5-N-(3-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-1-N-(1,2,3,4,5,6,8,9,10,11-decahydronaphtho[2,1-b][1]benzofuran-9-yl)-7,7-dimethyl-5-N-(3,4,8,9-tetrahydronaphtho[2,1-b][1]benzofuran-9-yl)-4,5,6,6a,8,9,9a,9b-octahydrophenalene-1,5-diamine (CID 154947623) is 1-N-(3-cyclohexa-1,3-dien-1-ylphenyl)-5-N-(3-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-1-N-(1,2,3,4,5,6,8,9,10,11-decahydronaphtho[2,1-b][1]benzofuran-9-yl)-7,7-dimethyl-5-N-(3,4,8,9-tetrahydronaphtho[2,1-b][1]benzofuran-9-yl)-4,5,6,6a,8,9,9a,9b-octahydrophenalene-1,5-diamine.
What is the SMILES notation for 1-N-(3-cyclohexa-1,3-dien-1-ylphenyl)-5-N-(3-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-1-N-(1,2,3,4,5,6,8,9,10,11-decahydronaphtho[2,1-b][1]benzofuran-9-yl)-7,7-dimethyl-5-N-(3,4,8,9-tetrahydronaphtho[2,1-b][1]benzofuran-9-yl)-4,5,6,6a,8,9,9a,9b-octahydrophenalene-1,5-diamine?
The canonical SMILES for 1-N-(3-cyclohexa-1,3-dien-1-ylphenyl)-5-N-(3-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-1-N-(1,2,3,4,5,6,8,9,10,11-decahydronaphtho[2,1-b][1]benzofuran-9-yl)-7,7-dimethyl-5-N-(3,4,8,9-tetrahydronaphtho[2,1-b][1]benzofuran-9-yl)-4,5,6,6a,8,9,9a,9b-octahydrophenalene-1,5-diamine is CC1(C)CCC2C(N(c3cccc(C4=CC=CCC4)c3)C3CCc4c(oc5c4C4=C(CCCC4)CC5)C3)=CC=C3CC(N(C4C=C(C5C=CCCC5)C=CC4)C4C=Cc5c(oc6ccc7c(c56)C=CCC7)C4)CC1C32.
What is the InChIKey of 1-N-(3-cyclohexa-1,3-dien-1-ylphenyl)-5-N-(3-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-1-N-(1,2,3,4,5,6,8,9,10,11-decahydronaphtho[2,1-b][1]benzofuran-9-yl)-7,7-dimethyl-5-N-(3,4,8,9-tetrahydronaphtho[2,1-b][1]benzofuran-9-yl)-4,5,6,6a,8,9,9a,9b-octahydrophenalene-1,5-diamine?
The InChIKey is DPMIXUNMPQZLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H78N2O2/c1-71(2)38-37-59-63(73(53-24-14-22-50(40-53)46-17-7-4-8-18-46)55-31-33-61-67(44-55)75-65-36-29-48-20-10-12-26-58(48)70(61)65)34-27-51-41-56(42-62(71)68(51)59)72(52-23-13-21-49(39-52)45-15-5-3-6-16-45)54-30-32-60-66(43-54)74-64-35-28-47-19-9-11-25-57(47)69(60)64/h4-5,7,11,13-15,17,21-22,24-25,27-28,30,32,34-35,39-40,45,52,54-56,59,62,68H,3,6,8-10,12,16,18-20,23,26,29,31,33,36-38,41-44H2,1-2H3.
What are the key properties of 1-N-(3-cyclohexa-1,3-dien-1-ylphenyl)-5-N-(3-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-1-N-(1,2,3,4,5,6,8,9,10,11-decahydronaphtho[2,1-b][1]benzofuran-9-yl)-7,7-dimethyl-5-N-(3,4,8,9-tetrahydronaphtho[2,1-b][1]benzofuran-9-yl)-4,5,6,6a,8,9,9a,9b-octahydrophenalene-1,5-diamine?
1-N-(3-cyclohexa-1,3-dien-1-ylphenyl)-5-N-(3-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-1-N-(1,2,3,4,5,6,8,9,10,11-decahydronaphtho[2,1-b][1]benzofuran-9-yl)-7,7-dimethyl-5-N-(3,4,8,9-tetrahydronaphtho[2,1-b][1]benzofuran-9-yl)-4,5,6,6a,8,9,9a,9b-octahydrophenalene-1,5-diamine has a molecular weight of 991.42 g/mol, XLogP of 17.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-cyclohexa-1,3-dien-1-ylphenyl)-5-N-(3-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-1-N-(1,2,3,4,5,6,8,9,10,11-decahydronaphtho[2,1-b][1]benzofuran-9-yl)-7,7-dimethyl-5-N-(3,4,8,9-tetrahydronaphtho[2,1-b][1]benzofuran-9-yl)-4,5,6,6a,8,9,9a,9b-octahydrophenalene-1,5-diamine is sourced from PubChem (CID 154947623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).