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

C70H78N2O — CID 139574510

IUPAC8-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
SMILESCC1(C)C2=CCC(N(c3ccc4cc5c6c(oc5cc4c3)CC(N(C3=CCC4C(C3)C3C=CC=CC3C4(C)C)C3C=C(C4C=CCCC4)C=CC3)C=C6)C3CCCC(C4=CC=CCC4)C3)C=C2C2C=CC=CC21
InChIInChI=1S/C70H78N2O/c1-69(2)63-27-13-11-25-57(63)60-42-54(32-35-65(60)69)71(51-23-15-21-47(37-51)45-17-7-5-8-18-45)53-30-29-49-40-62-59-34-31-56(44-68(59)73-67(62)41-50(49)39-53)72(52-24-16-22-48(38-52)46-19-9-6-10-20-46)55-33-36-66-61(43-55)58-26-12-14-28-64(58)70(66,3)4/h5,7,9,11-14,16-17,19,22,25-31,33-35,38-42,46-47,51-52,54,56-58,61,63-64,66H,6,8,10,15,18,20-21,23-24,32,36-37,43-44H2,1-4H3
InChIKeyIVDSPELLCNXTBJ-UHFFFAOYSA-N
MW963.41 g/mol
LogP17.41
Rot. Bonds8

About 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

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 (PubChem CID 139574510) has the molecular formula C70H78N2O and a molecular weight of 963.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID139574510
Molecular FormulaC70H78N2O
Molecular Weight963.41 g/mol
Exact Mass962.61
IUPAC Name8-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
SMILESCC1(C)C2=CCC(N(c3ccc4cc5c6c(oc5cc4c3)CC(N(C3=CCC4C(C3)C3C=CC=CC3C4(C)C)C3C=C(C4C=CCCC4)C=CC3)C=C6)C3CCCC(C4=CC=CCC4)C3)C=C2C2C=CC=CC21
InChIInChI=1S/C70H78N2O/c1-69(2)63-27-13-11-25-57(63)60-42-54(32-35-65(60)69)71(51-23-15-21-47(37-51)45-17-7-5-8-18-45)53-30-29-49-40-62-59-34-31-56(44-68(59)73-67(62)41-50(49)39-53)72(52-24-16-22-48(38-52)46-19-9-6-10-20-46)55-33-36-66-61(43-55)58-26-12-14-28-64(58)70(66,3)4/h5,7,9,11-14,16-17,19,22,25-31,33-35,38-42,46-47,51-52,54,56-58,61,63-64,66H,6,8,10,15,18,20-21,23-24,32,36-37,43-44H2,1-4H3
InChIKeyIVDSPELLCNXTBJ-UHFFFAOYSA-N
XLogP17.41
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.41
LogP ≤ 517.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]-2,3,4b,8a-tetrahydrofluoren-3-amine
CID 156558968
9-(3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)-N-(1,2,5a,9a-tetrahydrodibenzofuran-1-yl)-N-(7,9,9-trimethyl-1,2,3,4,4a,6,7,9a-octahydrofluoren-3-yl)-5,6,7,8-tetrahydrocarbazol-3-amine
CID 166957359
3-N-(1,2,3,4,4a,6,7,8,9,9b-decahydrodibenzofuran-4-yl)-8-N-(8,9-dihydrodibenzofuran-4-yl)-3-N-(9,9-dimethyl-1,4,4a,9a-tetrahydrofluoren-3-yl)-8-N-(9,9-dimethyl-1,4,4a,4b,5,6,7,8,8a,9a-decahydrofluoren-3-yl)-3,4,4a,11b-tetrahydronaphtho[3,2-b][1]benzofuran-3,8-diamine
CID 139574503
N-(4a,5a,6,7,9a,9b-hexahydrodibenzofuran-1-yl)-9-cyclohexa-1,5-dien-1-yl-N-spiro[2,3,4b,8a-tetrahydrofluorene-9,1'-cyclopentane]-2-yl-3,4,5,6,7,8-hexahydrocarbazol-3-amine
CID 139297511
9-(cyclohexen-1-yl)-2-[3-(1-methyl-2H-pyridin-6-yl)spiro[1,2,3,4,4a,8a,9a,10a-octahydroxanthene-9,9'-4a,6,7,9a-tetrahydroxanthene]-3'-yl]-1,2-dihydrocarbazole
CID 139539836
6,6,28,28-tetramethylundecacyclo[32.6.2.02,29.03,27.05,25.07,24.08,17.011,16.018,23.031,41.038,42]dotetraconta-1(40),2(29),3(27),7(24),8(17),9,13,15,18,20,22,25,30,32,34,41-hexadecaene
CID 123821787
N-[4-(8a-methyl-9-phenyl-4b,5,6,9a-tetrahydro-4aH-carbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(9,9-dimethyl-2,3,4b,8a-tetrahydrofluoren-2-yl)-1,2,8,9-tetrahydrodibenzofuran-1-amine
CID 139297515
5-cyclohexa-1,3-dien-1-yl-3-cyclohex-2-en-1-yl-1-iodocyclohexa-1,3-diene
CID 70994227
2-N-(1,2,3,7,8,12b-hexahydrotriphenylen-2-yl)-4-N'-cyclohex-2-en-1-yl-2-N-(5-methylcyclohex-2-en-1-yl)-4-N'-phenylspiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2,4'-diamine
CID 139470276
N-[4-[4-[cyclohex-3-en-1-yl(7,8-dihydronaphthalen-2-yl)amino]cyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-N-phenylnaphthalen-2-amine
CID 166686426
N-(4-benzo[c]phenanthren-5-ylcyclohexa-2,4-dien-1-yl)-N-cyclohexa-1,3-dien-1-yl-4-naphthalen-2-ylaniline
CID 170226556

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)C2=CCC(N(c3ccc4cc5c6c(oc5cc4c3)CC(N(C3=CCC4C(C3)C3C=CC=CC3C4(C)C)C3C=C(C4C=CCCC4)C=CC3)C=C6)C3CCCC(C4=CC=CCC4)C3)C=C2C2C=CC=CC21.
What is the InChIKey of 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?
The InChIKey is IVDSPELLCNXTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H78N2O/c1-69(2)63-27-13-11-25-57(63)60-42-54(32-35-65(60)69)71(51-23-15-21-47(37-51)45-17-7-5-8-18-45)53-30-29-49-40-62-59-34-31-56(44-68(59)73-67(62)41-50(49)39-53)72(52-24-16-22-48(38-52)46-19-9-6-10-20-46)55-33-36-66-61(43-55)58-26-12-14-28-64(58)70(66,3)4/h5,7,9,11-14,16-17,19,22,25-31,33-35,38-42,46-47,51-52,54,56-58,61,63-64,66H,6,8,10,15,18,20-21,23-24,32,36-37,43-44H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 963.41 g/mol, XLogP of 17.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139574510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).