11-dibenzofuran-4-ylspiro[8,9-dihydroindeno[2,1-a]carbazole-12,9'-fluorene]

C43H27NO — CID 139481086

IUPAC11-dibenzofuran-4-ylspiro[8,9-dihydroindeno[2,1-a]carbazole-12,9'-fluorene]
SMILESC1=c2c(n(-c3cccc4c3oc3ccccc34)c3c4c(ccc23)-c2ccccc2C42c3ccccc3-c3ccccc32)=CCC1
InChIInChI=1S/C43H27NO/c1-6-18-34-26(12-1)27-13-2-7-19-35(27)43(34)36-20-8-3-14-28(36)31-24-25-32-29-15-4-9-21-37(29)44(41(32)40(31)43)38-22-11-17-33-30-16-5-10-23-39(30)45-42(33)38/h1-3,5-8,10-25H,4,9H2
InChIKeyMCYMLDHLKLGIRE-UHFFFAOYSA-N
MW573.70 g/mol
LogP9.23
Rot. Bonds1

About 11-dibenzofuran-4-ylspiro[8,9-dihydroindeno[2,1-a]carbazole-12,9'-fluorene]

11-dibenzofuran-4-ylspiro[8,9-dihydroindeno[2,1-a]carbazole-12,9'-fluorene] (PubChem CID 139481086) has the molecular formula C43H27NO and a molecular weight of 573.70 g/mol. Its IUPAC name is 11-dibenzofuran-4-ylspiro[8,9-dihydroindeno[2,1-a]carbazole-12,9'-fluorene].

Molecular Properties

Compound Name11-dibenzofuran-4-ylspiro[8,9-dihydroindeno[2,1-a]carbazole-12,9'-fluorene]
PubChem CID139481086
Molecular FormulaC43H27NO
Molecular Weight573.70 g/mol
Exact Mass573.21
IUPAC Name11-dibenzofuran-4-ylspiro[8,9-dihydroindeno[2,1-a]carbazole-12,9'-fluorene]
SMILESC1=c2c(n(-c3cccc4c3oc3ccccc34)c3c4c(ccc23)-c2ccccc2C42c3ccccc3-c3ccccc32)=CCC1
InChIInChI=1S/C43H27NO/c1-6-18-34-26(12-1)27-13-2-7-19-35(27)43(34)36-20-8-3-14-28(36)31-24-25-32-29-15-4-9-21-37(29)44(41(32)40(31)43)38-22-11-17-33-30-16-5-10-23-39(30)45-42(33)38/h1-3,5-8,10-25H,4,9H2
InChIKeyMCYMLDHLKLGIRE-UHFFFAOYSA-N
XLogP9.23
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]
CID 122627056
spiro[adamantane-2,12'-fluoreno[1,2-b][1]benzofuran]
CID 168834609
11'-cyclohexa-2,4-dien-1-yl-8'-dibenzofuran-4-ylspiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 134189175
9-dibenzofuran-4-yl-23,23-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 122464597
9-dibenzofuran-4-yl-3-spiro[fluorene-9,9'-xanthene]-3-ylcarbazole
CID 163426204
4-[8-dibenzofuran-4-yl-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran
CID 155333956
23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 118545802
1-(4-chlorophenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 130379579
11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 90225215
4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758516
8-dibenzofuran-4-yl-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 118020112
10-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenoxazine
CID 171799143

Frequently Asked Questions

What is the IUPAC name of 11-dibenzofuran-4-ylspiro[8,9-dihydroindeno[2,1-a]carbazole-12,9'-fluorene]?
The IUPAC name of 11-dibenzofuran-4-ylspiro[8,9-dihydroindeno[2,1-a]carbazole-12,9'-fluorene] (CID 139481086) is 11-dibenzofuran-4-ylspiro[8,9-dihydroindeno[2,1-a]carbazole-12,9'-fluorene].
What is the SMILES notation for 11-dibenzofuran-4-ylspiro[8,9-dihydroindeno[2,1-a]carbazole-12,9'-fluorene]?
The canonical SMILES for 11-dibenzofuran-4-ylspiro[8,9-dihydroindeno[2,1-a]carbazole-12,9'-fluorene] is C1=c2c(n(-c3cccc4c3oc3ccccc34)c3c4c(ccc23)-c2ccccc2C42c3ccccc3-c3ccccc32)=CCC1.
What is the InChIKey of 11-dibenzofuran-4-ylspiro[8,9-dihydroindeno[2,1-a]carbazole-12,9'-fluorene]?
The InChIKey is MCYMLDHLKLGIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NO/c1-6-18-34-26(12-1)27-13-2-7-19-35(27)43(34)36-20-8-3-14-28(36)31-24-25-32-29-15-4-9-21-37(29)44(41(32)40(31)43)38-22-11-17-33-30-16-5-10-23-39(30)45-42(33)38/h1-3,5-8,10-25H,4,9H2.
What are the key properties of 11-dibenzofuran-4-ylspiro[8,9-dihydroindeno[2,1-a]carbazole-12,9'-fluorene]?
11-dibenzofuran-4-ylspiro[8,9-dihydroindeno[2,1-a]carbazole-12,9'-fluorene] has a molecular weight of 573.70 g/mol, XLogP of 9.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-dibenzofuran-4-ylspiro[8,9-dihydroindeno[2,1-a]carbazole-12,9'-fluorene] is sourced from PubChem (CID 139481086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).