N-(9-cyclohex-2-en-1-yl-9-phenyl-2,3,4,4a,4b,8a-hexahydrofluoren-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-fluorene]-2-yldibenzofuran-1-amine

C62H53NO — CID 166957290

IUPACN-(9-cyclohex-2-en-1-yl-9-phenyl-2,3,4,4a,4b,8a-hexahydrofluoren-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-fluorene]-2-yldibenzofuran-1-amine
SMILESC1=CC2C3C(=CCCC3N(c3cccc4oc5ccccc5c34)C3C=CC4=C(C3)C3(C5=C4C=CCC5)c4ccccc4-c4ccccc43)C(c3ccccc3)(C3C=CCCC3)C2C=C1
InChIInChI=1S/C62H53NO/c1-3-19-40(20-4-1)61(41-21-5-2-6-22-41)52-31-15-10-26-47(52)59-53(61)32-17-33-55(59)63(56-34-18-36-58-60(56)48-27-11-16-35-57(48)64-58)42-37-38-46-45-25-9-14-30-51(45)62(54(46)39-42)49-28-12-7-23-43(49)44-24-8-13-29-50(44)62/h1,3-5,7-13,15-16,18-21,23-29,31-32,34-38,41-42,47,52,55,59H,2,6,14,17,22,30,33,39H2
InChIKeyVXLSCFZWXXSNSD-UHFFFAOYSA-N
MW828.11 g/mol
LogP15.02
Rot. Bonds5

About N-(9-cyclohex-2-en-1-yl-9-phenyl-2,3,4,4a,4b,8a-hexahydrofluoren-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-fluorene]-2-yldibenzofuran-1-amine

N-(9-cyclohex-2-en-1-yl-9-phenyl-2,3,4,4a,4b,8a-hexahydrofluoren-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-fluorene]-2-yldibenzofuran-1-amine (PubChem CID 166957290) has the molecular formula C62H53NO and a molecular weight of 828.11 g/mol. Its IUPAC name is N-(9-cyclohex-2-en-1-yl-9-phenyl-2,3,4,4a,4b,8a-hexahydrofluoren-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-fluorene]-2-yldibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9-cyclohex-2-en-1-yl-9-phenyl-2,3,4,4a,4b,8a-hexahydrofluoren-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-fluorene]-2-yldibenzofuran-1-amine
PubChem CID166957290
Molecular FormulaC62H53NO
Molecular Weight828.11 g/mol
Exact Mass827.41
IUPAC NameN-(9-cyclohex-2-en-1-yl-9-phenyl-2,3,4,4a,4b,8a-hexahydrofluoren-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-fluorene]-2-yldibenzofuran-1-amine
SMILESC1=CC2C3C(=CCCC3N(c3cccc4oc5ccccc5c34)C3C=CC4=C(C3)C3(C5=C4C=CCC5)c4ccccc4-c4ccccc43)C(c3ccccc3)(C3C=CCCC3)C2C=C1
InChIInChI=1S/C62H53NO/c1-3-19-40(20-4-1)61(41-21-5-2-6-22-41)52-31-15-10-26-47(52)59-53(61)32-17-33-55(59)63(56-34-18-36-58-60(56)48-27-11-16-35-57(48)64-58)42-37-38-46-45-25-9-14-30-51(45)62(54(46)39-42)49-28-12-7-23-43(49)44-24-8-13-29-50(44)62/h1,3-5,7-13,15-16,18-21,23-29,31-32,34-38,41-42,47,52,55,59H,2,6,14,17,22,30,33,39H2
InChIKeyVXLSCFZWXXSNSD-UHFFFAOYSA-N
XLogP15.02
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.11
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(9-cyclohex-2-en-1-yl-9-phenyl-2,3,4,4a,4b,8a-hexahydrofluoren-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-fluorene]-2-yldibenzofuran-1-amine with MolForge

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Related Compounds

2-dibenzofuran-1-yl-4-phenyl-6-(8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yldibenzofuran-1-yl)-1,3,5-triazine
CID 174284587
9-dibenzofuran-2-yl-N-[2-(9,9-dimethyl-7,8-dihydrofluoren-4-yl)phenyl]-9-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-4b,8a-dihydrofluoren-2-amine
CID 170138429
N-cyclohexa-2,4-dien-1-yl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),18(23),19-decaene]-20'-yldibenzofuran-1-amine
CID 163724663
N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759950
N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine
CID 138582677
N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-1-amine
CID 177063669
N-dibenzofuran-4-yl-10'-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[1,2-dihydrofluorene-9,9'-acridine]-2-amine
CID 155297026
N-cyclohexa-1,3-dien-1-yl-4-naphtho[2,1-b][1]benzofuran-3-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 126701115
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 126701110
N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 170119694
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 176583162
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-6,7-dihydrodibenzofuran-3-amine
CID 170304639

Frequently Asked Questions

What is the IUPAC name of N-(9-cyclohex-2-en-1-yl-9-phenyl-2,3,4,4a,4b,8a-hexahydrofluoren-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-fluorene]-2-yldibenzofuran-1-amine?
The IUPAC name of N-(9-cyclohex-2-en-1-yl-9-phenyl-2,3,4,4a,4b,8a-hexahydrofluoren-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-fluorene]-2-yldibenzofuran-1-amine (CID 166957290) is N-(9-cyclohex-2-en-1-yl-9-phenyl-2,3,4,4a,4b,8a-hexahydrofluoren-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-fluorene]-2-yldibenzofuran-1-amine.
What is the SMILES notation for N-(9-cyclohex-2-en-1-yl-9-phenyl-2,3,4,4a,4b,8a-hexahydrofluoren-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-fluorene]-2-yldibenzofuran-1-amine?
The canonical SMILES for N-(9-cyclohex-2-en-1-yl-9-phenyl-2,3,4,4a,4b,8a-hexahydrofluoren-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-fluorene]-2-yldibenzofuran-1-amine is C1=CC2C3C(=CCCC3N(c3cccc4oc5ccccc5c34)C3C=CC4=C(C3)C3(C5=C4C=CCC5)c4ccccc4-c4ccccc43)C(c3ccccc3)(C3C=CCCC3)C2C=C1.
What is the InChIKey of N-(9-cyclohex-2-en-1-yl-9-phenyl-2,3,4,4a,4b,8a-hexahydrofluoren-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-fluorene]-2-yldibenzofuran-1-amine?
The InChIKey is VXLSCFZWXXSNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H53NO/c1-3-19-40(20-4-1)61(41-21-5-2-6-22-41)52-31-15-10-26-47(52)59-53(61)32-17-33-55(59)63(56-34-18-36-58-60(56)48-27-11-16-35-57(48)64-58)42-37-38-46-45-25-9-14-30-51(45)62(54(46)39-42)49-28-12-7-23-43(49)44-24-8-13-29-50(44)62/h1,3-5,7-13,15-16,18-21,23-29,31-32,34-38,41-42,47,52,55,59H,2,6,14,17,22,30,33,39H2.
What are the key properties of N-(9-cyclohex-2-en-1-yl-9-phenyl-2,3,4,4a,4b,8a-hexahydrofluoren-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-fluorene]-2-yldibenzofuran-1-amine?
N-(9-cyclohex-2-en-1-yl-9-phenyl-2,3,4,4a,4b,8a-hexahydrofluoren-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-fluorene]-2-yldibenzofuran-1-amine has a molecular weight of 828.11 g/mol, XLogP of 15.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-cyclohex-2-en-1-yl-9-phenyl-2,3,4,4a,4b,8a-hexahydrofluoren-4-yl)-N-spiro[1,2,7,8-tetrahydrofluorene-9,9'-fluorene]-2-yldibenzofuran-1-amine is sourced from PubChem (CID 166957290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).