6'-[6-[9-(4,4a-dihydrodibenzofuran-3-yl)-9-methylfluoren-1-yl]naphthalen-2-yl]-15'-methylspiro[1,2,4a,9a-tetrahydrofluorene-9,11'-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12(17)-pentaene]

C65H53NO — CID 129311012

IUPAC6'-[6-[9-(4,4a-dihydrodibenzofuran-3-yl)-9-methylfluoren-1-yl]naphthalen-2-yl]-15'-methylspiro[1,2,4a,9a-tetrahydrofluorene-9,11'-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12(17)-pentaene]
SMILESCN1CCC2=C(C1)C1c3cccc(-c4ccc5cc(-c6cccc7c6C(C)(C6=CC=C8c9ccccc9OC8C6)c6ccccc6-7)ccc5c4)c3C=CC1C21c2ccccc2C2C=CCCC21
InChIInChI=1S/C65H53NO/c1-64(43-29-30-51-50-16-6-10-24-60(50)67-61(51)37-43)55-21-7-3-15-49(55)53-20-12-18-45(63(53)64)42-28-26-39-35-41(27-25-40(39)36-42)44-17-11-19-52-46(44)31-32-59-62(52)54-38-66(2)34-33-58(54)65(59)56-22-8-4-13-47(56)48-14-5-9-23-57(48)65/h3-8,10-22,24-32,35-36,48,57,59,61-62H,9,23,33-34,37-38H2,1-2H3
InChIKeyPXOIIRYLWBKFRR-UHFFFAOYSA-N
MW864.14 g/mol
LogP15.01
Rot. Bonds3

About 6'-[6-[9-(4,4a-dihydrodibenzofuran-3-yl)-9-methylfluoren-1-yl]naphthalen-2-yl]-15'-methylspiro[1,2,4a,9a-tetrahydrofluorene-9,11'-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12(17)-pentaene]

6'-[6-[9-(4,4a-dihydrodibenzofuran-3-yl)-9-methylfluoren-1-yl]naphthalen-2-yl]-15'-methylspiro[1,2,4a,9a-tetrahydrofluorene-9,11'-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12(17)-pentaene] (PubChem CID 129311012) has the molecular formula C65H53NO and a molecular weight of 864.14 g/mol. Its IUPAC name is 6'-[6-[9-(4,4a-dihydrodibenzofuran-3-yl)-9-methylfluoren-1-yl]naphthalen-2-yl]-15'-methylspiro[1,2,4a,9a-tetrahydrofluorene-9,11'-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12(17)-pentaene].

Molecular Properties

Compound Name6'-[6-[9-(4,4a-dihydrodibenzofuran-3-yl)-9-methylfluoren-1-yl]naphthalen-2-yl]-15'-methylspiro[1,2,4a,9a-tetrahydrofluorene-9,11'-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12(17)-pentaene]
PubChem CID129311012
Molecular FormulaC65H53NO
Molecular Weight864.14 g/mol
Exact Mass863.41
IUPAC Name6'-[6-[9-(4,4a-dihydrodibenzofuran-3-yl)-9-methylfluoren-1-yl]naphthalen-2-yl]-15'-methylspiro[1,2,4a,9a-tetrahydrofluorene-9,11'-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12(17)-pentaene]
SMILESCN1CCC2=C(C1)C1c3cccc(-c4ccc5cc(-c6cccc7c6C(C)(C6=CC=C8c9ccccc9OC8C6)c6ccccc6-7)ccc5c4)c3C=CC1C21c2ccccc2C2C=CCCC21
InChIInChI=1S/C65H53NO/c1-64(43-29-30-51-50-16-6-10-24-60(50)67-61(51)37-43)55-21-7-3-15-49(55)53-20-12-18-45(63(53)64)42-28-26-39-35-41(27-25-40(39)36-42)44-17-11-19-52-46(44)31-32-59-62(52)54-38-66(2)34-33-58(54)65(59)56-22-8-4-13-47(56)48-14-5-9-23-57(48)65/h3-8,10-22,24-32,35-36,48,57,59,61-62H,9,23,33-34,37-38H2,1-2H3
InChIKeyPXOIIRYLWBKFRR-UHFFFAOYSA-N
XLogP15.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.14
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6'-[6-[9-(4,4a-dihydrodibenzofuran-3-yl)-9-methylfluoren-1-yl]naphthalen-2-yl]-15'-methylspiro[1,2,4a,9a-tetrahydrofluorene-9,11'-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12(17)-pentaene] with MolForge

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Related Compounds

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CID 145141140
CID 145141140
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(9,9'-spirobi[1,2,4a,9a-tetrahydrofluorene]-2'-yl)-6,7,8,9-tetrahydrodibenzofuran-1-amine
CID 139297035
10-[6-(1,2-dihydrophenoxazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenoxazine
CID 89111126
4-phenyl-2-(3-spiro[1,2,4a,9a-tetrahydrofluorene-9,9'-xanthene]-2'-ylphenyl)-8,8a-dihydroquinazoline
CID 155443032
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CID 170020847
N-[4-(9,9-dimethyl-4b,7,8,8a-tetrahydrofluoren-2-yl)phenyl]-9H-fluoren-2-amine
CID 174280410
9,9-dimethyl-N-[2-[3-[2-(5-methyl-5,6-dihydronaphthalen-2-yl)phenyl]phenyl]-5-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176987264
11-[9-(4,4a-dihydrodibenzofuran-3-yl)-4a,9a-dihydrocarbazol-3-yl]-15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 89472169
16-(9,9-dimethylfluoren-1-yl)-27-oxa-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,13(18),14,16,19(30),21,23,25-undecaene
CID 144984750
2-(7,8-dihydronaphthalen-2-yl)-7-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]
CID 137455213

Frequently Asked Questions

What is the IUPAC name of 6'-[6-[9-(4,4a-dihydrodibenzofuran-3-yl)-9-methylfluoren-1-yl]naphthalen-2-yl]-15'-methylspiro[1,2,4a,9a-tetrahydrofluorene-9,11'-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12(17)-pentaene]?
The IUPAC name of 6'-[6-[9-(4,4a-dihydrodibenzofuran-3-yl)-9-methylfluoren-1-yl]naphthalen-2-yl]-15'-methylspiro[1,2,4a,9a-tetrahydrofluorene-9,11'-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12(17)-pentaene] (CID 129311012) is 6'-[6-[9-(4,4a-dihydrodibenzofuran-3-yl)-9-methylfluoren-1-yl]naphthalen-2-yl]-15'-methylspiro[1,2,4a,9a-tetrahydrofluorene-9,11'-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12(17)-pentaene].
What is the SMILES notation for 6'-[6-[9-(4,4a-dihydrodibenzofuran-3-yl)-9-methylfluoren-1-yl]naphthalen-2-yl]-15'-methylspiro[1,2,4a,9a-tetrahydrofluorene-9,11'-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12(17)-pentaene]?
The canonical SMILES for 6'-[6-[9-(4,4a-dihydrodibenzofuran-3-yl)-9-methylfluoren-1-yl]naphthalen-2-yl]-15'-methylspiro[1,2,4a,9a-tetrahydrofluorene-9,11'-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12(17)-pentaene] is CN1CCC2=C(C1)C1c3cccc(-c4ccc5cc(-c6cccc7c6C(C)(C6=CC=C8c9ccccc9OC8C6)c6ccccc6-7)ccc5c4)c3C=CC1C21c2ccccc2C2C=CCCC21.
What is the InChIKey of 6'-[6-[9-(4,4a-dihydrodibenzofuran-3-yl)-9-methylfluoren-1-yl]naphthalen-2-yl]-15'-methylspiro[1,2,4a,9a-tetrahydrofluorene-9,11'-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12(17)-pentaene]?
The InChIKey is PXOIIRYLWBKFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H53NO/c1-64(43-29-30-51-50-16-6-10-24-60(50)67-61(51)37-43)55-21-7-3-15-49(55)53-20-12-18-45(63(53)64)42-28-26-39-35-41(27-25-40(39)36-42)44-17-11-19-52-46(44)31-32-59-62(52)54-38-66(2)34-33-58(54)65(59)56-22-8-4-13-47(56)48-14-5-9-23-57(48)65/h3-8,10-22,24-32,35-36,48,57,59,61-62H,9,23,33-34,37-38H2,1-2H3.
What are the key properties of 6'-[6-[9-(4,4a-dihydrodibenzofuran-3-yl)-9-methylfluoren-1-yl]naphthalen-2-yl]-15'-methylspiro[1,2,4a,9a-tetrahydrofluorene-9,11'-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12(17)-pentaene]?
6'-[6-[9-(4,4a-dihydrodibenzofuran-3-yl)-9-methylfluoren-1-yl]naphthalen-2-yl]-15'-methylspiro[1,2,4a,9a-tetrahydrofluorene-9,11'-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12(17)-pentaene] has a molecular weight of 864.14 g/mol, XLogP of 15.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-[6-[9-(4,4a-dihydrodibenzofuran-3-yl)-9-methylfluoren-1-yl]naphthalen-2-yl]-15'-methylspiro[1,2,4a,9a-tetrahydrofluorene-9,11'-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12(17)-pentaene] is sourced from PubChem (CID 129311012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).