6-spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C45H26O — CID 170025229

IUPAC6-spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-c3cccc4c3Oc3cccc5cccc-4c35)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C45H26O/c1-2-11-29-25-41-37(24-28(29)10-1)34-23-22-30(26-40(34)45(41)38-19-5-3-14-32(38)33-15-4-6-20-39(33)45)31-16-9-18-36-35-17-7-12-27-13-8-21-42(43(27)35)46-44(31)36/h1-26H
InChIKeySGTUKQOQMZCDDD-UHFFFAOYSA-N
MW582.70 g/mol
LogP11.78
Rot. Bonds1

About 6-spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

6-spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 170025229) has the molecular formula C45H26O and a molecular weight of 582.70 g/mol. Its IUPAC name is 6-spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

Compound Name6-spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
PubChem CID170025229
Molecular FormulaC45H26O
Molecular Weight582.70 g/mol
Exact Mass582.20
IUPAC Name6-spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-c3cccc4c3Oc3cccc5cccc-4c35)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C45H26O/c1-2-11-29-25-41-37(24-28(29)10-1)34-23-22-30(26-40(34)45(41)38-19-5-3-14-32(38)33-15-4-6-20-39(33)45)31-16-9-18-36-35-17-7-12-27-13-8-21-42(43(27)35)46-44(31)36/h1-26H
InChIKeySGTUKQOQMZCDDD-UHFFFAOYSA-N
XLogP11.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.70
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene with MolForge

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Related Compounds

6-(9,9-dimethylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 170014679
4-(2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170031425
11-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170014946
15-[4-(9,9'-spirobi[fluorene]-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 177127535
3-[4-(11-phenylbenzo[b]fluoren-11-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 170021443
9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene
CID 170017622
5-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylphenyl)spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033530
12-(9,9'-spirobi[fluorene]-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170013597
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
6-spiro[benzo[b]fluorene-11,9'-fluorene]-8-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 160639398
2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)spiro[fluorene-9,9'-xanthene]
CID 170037139
5-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylspiro[benzo[c]xanthene-7,9'-fluorene]
CID 170019999

Frequently Asked Questions

What is the IUPAC name of 6-spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The IUPAC name of 6-spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 170025229) is 6-spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.
What is the SMILES notation for 6-spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The canonical SMILES for 6-spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1ccc2c(c1)-c1ccccc1C21c2cc(-c3cccc4c3Oc3cccc5cccc-4c35)ccc2-c2cc3ccccc3cc21.
What is the InChIKey of 6-spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The InChIKey is SGTUKQOQMZCDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26O/c1-2-11-29-25-41-37(24-28(29)10-1)34-23-22-30(26-40(34)45(41)38-19-5-3-14-32(38)33-15-4-6-20-39(33)45)31-16-9-18-36-35-17-7-12-27-13-8-21-42(43(27)35)46-44(31)36/h1-26H.
What are the key properties of 6-spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
6-spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 582.70 g/mol, XLogP of 11.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 170025229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).