15-(9,9'-spirobi[fluorene]-4'-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

C41H24O — CID 177127905

IUPAC15-(9,9'-spirobi[fluorene]-4'-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
SMILESc1ccc2c(c1)Oc1cccc3cc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc-2c13
InChIInChI=1S/C41H24O/c1-5-17-33-28(12-1)29-13-2-6-18-34(29)41(33)35-19-7-3-15-31(35)40-27(16-10-20-36(40)41)26-23-25-11-9-22-38-39(25)32(24-26)30-14-4-8-21-37(30)42-38/h1-24H
InChIKeyRGSGEHQUWXILOO-UHFFFAOYSA-N
MW532.64 g/mol
LogP10.62
Rot. Bonds1

About 15-(9,9'-spirobi[fluorene]-4'-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

15-(9,9'-spirobi[fluorene]-4'-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (PubChem CID 177127905) has the molecular formula C41H24O and a molecular weight of 532.64 g/mol. Its IUPAC name is 15-(9,9'-spirobi[fluorene]-4'-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.

Molecular Properties

Compound Name15-(9,9'-spirobi[fluorene]-4'-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
PubChem CID177127905
Molecular FormulaC41H24O
Molecular Weight532.64 g/mol
Exact Mass532.18
IUPAC Name15-(9,9'-spirobi[fluorene]-4'-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
SMILESc1ccc2c(c1)Oc1cccc3cc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc-2c13
InChIInChI=1S/C41H24O/c1-5-17-33-28(12-1)29-13-2-6-18-34(29)41(33)35-19-7-3-15-31(35)40-27(16-10-20-36(40)41)26-23-25-11-9-22-38-39(25)32(24-26)30-14-4-8-21-37(30)42-38/h1-24H
InChIKeyRGSGEHQUWXILOO-UHFFFAOYSA-N
XLogP10.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 15-(9,9'-spirobi[fluorene]-4'-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene with MolForge

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Related Compounds

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
15-[3-(9-phenylfluoren-9-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 170021977
3-spiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 170014620
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
11-(9,9-diphenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170015085
12-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177126905
16-[3-(9-phenylfluoren-9-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 170021978
9,9-diphenyl-2-spiro[benzo[a]phenalene-7,9'-fluorene]-4'-ylxanthene
CID 170018464
11-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177128059
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
15-(3-phenyl-5-pyren-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 171045935
1-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)naphtho[2,3-b][1]benzofuran
CID 177298062

Frequently Asked Questions

What is the IUPAC name of 15-(9,9'-spirobi[fluorene]-4'-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The IUPAC name of 15-(9,9'-spirobi[fluorene]-4'-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (CID 177127905) is 15-(9,9'-spirobi[fluorene]-4'-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.
What is the SMILES notation for 15-(9,9'-spirobi[fluorene]-4'-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The canonical SMILES for 15-(9,9'-spirobi[fluorene]-4'-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is c1ccc2c(c1)Oc1cccc3cc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc-2c13.
What is the InChIKey of 15-(9,9'-spirobi[fluorene]-4'-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The InChIKey is RGSGEHQUWXILOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24O/c1-5-17-33-28(12-1)29-13-2-6-18-34(29)41(33)35-19-7-3-15-31(35)40-27(16-10-20-36(40)41)26-23-25-11-9-22-38-39(25)32(24-26)30-14-4-8-21-37(30)42-38/h1-24H.
What are the key properties of 15-(9,9'-spirobi[fluorene]-4'-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
15-(9,9'-spirobi[fluorene]-4'-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene has a molecular weight of 532.64 g/mol, XLogP of 10.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(9,9'-spirobi[fluorene]-4'-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is sourced from PubChem (CID 177127905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).