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

C41H26O — CID 170015085

IUPAC11-(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
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4cc5c6c(cccc6c4)-c4ccccc4O5)ccc32)cc1
InChIInChI=1S/C41H26O/c1-3-13-30(14-4-1)41(31-15-5-2-6-16-31)36-20-9-7-17-32(36)35-25-27(22-23-37(35)41)29-24-28-12-11-19-34-33-18-8-10-21-38(33)42-39(26-29)40(28)34/h1-26H
InChIKeySFALIPZRMMTZHY-UHFFFAOYSA-N
MW534.66 g/mol
LogP10.64
Rot. Bonds3

About 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

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 (PubChem CID 170015085) has the molecular formula C41H26O and a molecular weight of 534.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-(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
PubChem CID170015085
Molecular FormulaC41H26O
Molecular Weight534.66 g/mol
Exact Mass534.20
IUPAC Name11-(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
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4cc5c6c(cccc6c4)-c4ccccc4O5)ccc32)cc1
InChIInChI=1S/C41H26O/c1-3-13-30(14-4-1)41(31-15-5-2-6-16-31)36-20-9-7-17-32(36)35-25-27(22-23-37(35)41)29-24-28-12-11-19-34-33-18-8-10-21-38(33)42-39(26-29)40(28)34/h1-26H
InChIKeySFALIPZRMMTZHY-UHFFFAOYSA-N
XLogP10.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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
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
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
5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170015285
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
3,9,9-triphenylfluorene
CID 140844354
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-diphenyl-2-spiro[benzo[a]phenalene-7,9'-fluorene]-4'-ylxanthene
CID 170018464
N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 174307923
4-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170050139
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4cc5c6c(cccc6c4)-c4ccccc4O5)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is SFALIPZRMMTZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26O/c1-3-13-30(14-4-1)41(31-15-5-2-6-16-31)36-20-9-7-17-32(36)35-25-27(22-23-37(35)41)29-24-28-12-11-19-34-33-18-8-10-21-38(33)42-39(26-29)40(28)34/h1-26H.
What are the key properties of 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?
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 has a molecular weight of 534.66 g/mol, XLogP of 10.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170015085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).