N-[4-(9-cyclohex-3-en-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)cyclohex-2-en-1-yl]-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-1,4,4a,5,6,7,8,9a-octahydrofluorene]-2'-yl-1,2,4a,9b-tetrahydrodibenzofuran-1-amine

C61H66N2O — CID 166957385

IUPACN-[4-(9-cyclohex-3-en-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)cyclohex-2-en-1-yl]-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-1,4,4a,5,6,7,8,9a-octahydrofluorene]-2'-yl-1,2,4a,9b-tetrahydrodibenzofuran-1-amine
SMILESC1=CC2=C(CC1)C1(C3=C2C=CCC3)C2=C(CCCC2)C2CC=C(N(C3C=CC(c4ccc5c(c4)c4c(n5C5CC=CCC5)CCCC4)CC3)C3CC=CC4Oc5ccccc5C43)CC21
InChIInChI=1S/C61H66N2O/c1-2-15-41(16-3-1)63-55-25-12-7-20-48(55)50-37-40(31-36-56(50)63)39-29-32-42(33-30-39)62(57-26-14-28-59-60(57)49-21-8-13-27-58(49)64-59)43-34-35-47-46-19-6-11-24-53(46)61(54(47)38-43)51-22-9-4-17-44(51)45-18-5-10-23-52(45)61/h1-2,4-5,8,13-14,17-18,21,27-29,31-32,34,36-37,39,41-42,47,54,57,59-60H,3,6-7,9-12,15-16,19-20,22-26,30,33,35,38H2
InChIKeyYOYBYDFYXWXLNA-UHFFFAOYSA-N
MW843.21 g/mol
LogP14.87
Rot. Bonds5

About N-[4-(9-cyclohex-3-en-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)cyclohex-2-en-1-yl]-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-1,4,4a,5,6,7,8,9a-octahydrofluorene]-2'-yl-1,2,4a,9b-tetrahydrodibenzofuran-1-amine

N-[4-(9-cyclohex-3-en-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)cyclohex-2-en-1-yl]-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-1,4,4a,5,6,7,8,9a-octahydrofluorene]-2'-yl-1,2,4a,9b-tetrahydrodibenzofuran-1-amine (PubChem CID 166957385) has the molecular formula C61H66N2O and a molecular weight of 843.21 g/mol. Its IUPAC name is N-[4-(9-cyclohex-3-en-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)cyclohex-2-en-1-yl]-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-1,4,4a,5,6,7,8,9a-octahydrofluorene]-2'-yl-1,2,4a,9b-tetrahydrodibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(9-cyclohex-3-en-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)cyclohex-2-en-1-yl]-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-1,4,4a,5,6,7,8,9a-octahydrofluorene]-2'-yl-1,2,4a,9b-tetrahydrodibenzofuran-1-amine
PubChem CID166957385
Molecular FormulaC61H66N2O
Molecular Weight843.21 g/mol
Exact Mass842.52
IUPAC NameN-[4-(9-cyclohex-3-en-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)cyclohex-2-en-1-yl]-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-1,4,4a,5,6,7,8,9a-octahydrofluorene]-2'-yl-1,2,4a,9b-tetrahydrodibenzofuran-1-amine
SMILESC1=CC2=C(CC1)C1(C3=C2C=CCC3)C2=C(CCCC2)C2CC=C(N(C3C=CC(c4ccc5c(c4)c4c(n5C5CC=CCC5)CCCC4)CC3)C3CC=CC4Oc5ccccc5C43)CC21
InChIInChI=1S/C61H66N2O/c1-2-15-41(16-3-1)63-55-25-12-7-20-48(55)50-37-40(31-36-56(50)63)39-29-32-42(33-30-39)62(57-26-14-28-59-60(57)49-21-8-13-27-58(49)64-59)43-34-35-47-46-19-6-11-24-53(46)61(54(47)38-43)51-22-9-4-17-44(51)45-18-5-10-23-52(45)61/h1-2,4-5,8,13-14,17-18,21,27-29,31-32,34,36-37,39,41-42,47,54,57,59-60H,3,6-7,9-12,15-16,19-20,22-26,30,33,35,38H2
InChIKeyYOYBYDFYXWXLNA-UHFFFAOYSA-N
XLogP14.87
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.21
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(9-cyclohex-3-en-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)cyclohex-2-en-1-yl]-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-1,4,4a,5,6,7,8,9a-octahydrofluorene]-2'-yl-1,2,4a,9b-tetrahydrodibenzofuran-1-amine with MolForge

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Related Compounds

3-(9,9a-dihydro-4aH-carbazol-3-yl)-9-cyclohex-3-en-1-ylcarbazole
CID 163628284
5-(4-phenylcyclohexa-1,5-dien-1-yl)-1,2,3,4,5a,7b,10,11,11a,12b-decahydro-[1]benzofuro[3,2-c]carbazole
CID 134390677
6-[9-[(1S)-3-cyclohexa-2,4-dien-1-yl-6-(cyclohexen-1-yl)cyclohexa-2,4-dien-1-yl]-1,2,3,4,4a,5,6,9a-octahydrocarbazol-3-yl]-9-cyclohex-3-en-1-yl-2,3-dihydrocarbazole
CID 170144861
N-[4-(9-cyclohex-3-en-1-ylcarbazol-3-yl)phenyl]-N-(9,9-dimethyl-1,4b,5,6,8a,9a-hexahydrofluoren-2-yl)-9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-amine
CID 170041744
9,9-dimethyl-6-[2-(2-methylphenyl)phenyl]-1,2,5,6-tetrahydrofluorene
CID 156826986
5-(8'a-methyl-3-phenylspiro[4a,9a-dihydroxanthene-9,9'-8H-xanthene]-2'-yl)-9-cyclohexa-1,5-dien-1-yl-1,2,3,4,5,6-hexahydrocarbazole
CID 135159365
N-(4a,5a,6,7,8,9,9a,9b-octahydrodibenzofuran-1-yl)-9-cyclohexa-1,5-dien-1-yl-N-(9,9-dimethyl-4b,5,8,8a-tetrahydrofluoren-3-yl)-3,4,4a,5,6,7,8,9a-octahydrocarbazol-3-amine
CID 139297211
4-N-(9-cyclohexa-2,4-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-N-(cyclohexen-1-yl)-2-N'-cyclohex-3-en-1-yl-2-N'-naphthalen-1-ylspiro[1,2,4b,8a-tetrahydrofluorene-9,9'-7,8-dihydrofluorene]-2',4-diamine
CID 135218372
9-cyclohexa-1,3-dien-1-yl-3-[9-(9,9-dimethyl-1,2,3,4,7,8-hexahydrofluoren-3-yl)-7,8-dihydrocarbazol-3-yl]carbazole
CID 169036980
9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole
CID 134390909
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-[(4aR)-spiro[1,2,4a,4b,8a,9a-hexahydrofluorene-9,9'-1,4,4a,9a-tetrahydrofluorene]-2-yl]-N-(7-methylspiro[1,2,3,4,7,8-hexahydrofluorene-9,9'-2,3,4,4a-tetrahydrofluorene]-2'-yl)-1,2,5a,9a-tetrahydrodibenzofuran-1-amine
CID 139297498

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-cyclohex-3-en-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)cyclohex-2-en-1-yl]-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-1,4,4a,5,6,7,8,9a-octahydrofluorene]-2'-yl-1,2,4a,9b-tetrahydrodibenzofuran-1-amine?
The IUPAC name of N-[4-(9-cyclohex-3-en-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)cyclohex-2-en-1-yl]-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-1,4,4a,5,6,7,8,9a-octahydrofluorene]-2'-yl-1,2,4a,9b-tetrahydrodibenzofuran-1-amine (CID 166957385) is N-[4-(9-cyclohex-3-en-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)cyclohex-2-en-1-yl]-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-1,4,4a,5,6,7,8,9a-octahydrofluorene]-2'-yl-1,2,4a,9b-tetrahydrodibenzofuran-1-amine.
What is the SMILES notation for N-[4-(9-cyclohex-3-en-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)cyclohex-2-en-1-yl]-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-1,4,4a,5,6,7,8,9a-octahydrofluorene]-2'-yl-1,2,4a,9b-tetrahydrodibenzofuran-1-amine?
The canonical SMILES for N-[4-(9-cyclohex-3-en-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)cyclohex-2-en-1-yl]-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-1,4,4a,5,6,7,8,9a-octahydrofluorene]-2'-yl-1,2,4a,9b-tetrahydrodibenzofuran-1-amine is C1=CC2=C(CC1)C1(C3=C2C=CCC3)C2=C(CCCC2)C2CC=C(N(C3C=CC(c4ccc5c(c4)c4c(n5C5CC=CCC5)CCCC4)CC3)C3CC=CC4Oc5ccccc5C43)CC21.
What is the InChIKey of N-[4-(9-cyclohex-3-en-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)cyclohex-2-en-1-yl]-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-1,4,4a,5,6,7,8,9a-octahydrofluorene]-2'-yl-1,2,4a,9b-tetrahydrodibenzofuran-1-amine?
The InChIKey is YOYBYDFYXWXLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H66N2O/c1-2-15-41(16-3-1)63-55-25-12-7-20-48(55)50-37-40(31-36-56(50)63)39-29-32-42(33-30-39)62(57-26-14-28-59-60(57)49-21-8-13-27-58(49)64-59)43-34-35-47-46-19-6-11-24-53(46)61(54(47)38-43)51-22-9-4-17-44(51)45-18-5-10-23-52(45)61/h1-2,4-5,8,13-14,17-18,21,27-29,31-32,34,36-37,39,41-42,47,54,57,59-60H,3,6-7,9-12,15-16,19-20,22-26,30,33,35,38H2.
What are the key properties of N-[4-(9-cyclohex-3-en-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)cyclohex-2-en-1-yl]-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-1,4,4a,5,6,7,8,9a-octahydrofluorene]-2'-yl-1,2,4a,9b-tetrahydrodibenzofuran-1-amine?
N-[4-(9-cyclohex-3-en-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)cyclohex-2-en-1-yl]-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-1,4,4a,5,6,7,8,9a-octahydrofluorene]-2'-yl-1,2,4a,9b-tetrahydrodibenzofuran-1-amine has a molecular weight of 843.21 g/mol, XLogP of 14.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-cyclohex-3-en-1-yl-5,6,7,8-tetrahydrocarbazol-3-yl)cyclohex-2-en-1-yl]-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-1,4,4a,5,6,7,8,9a-octahydrofluorene]-2'-yl-1,2,4a,9b-tetrahydrodibenzofuran-1-amine is sourced from PubChem (CID 166957385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).