2-(2-phenylphenyl)-5-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)furan

C32H20OS — CID 177297848

IUPAC2-(2-phenylphenyl)-5-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)furan
SMILESc1ccc(-c2ccccc2-c2ccc(-c3ccc4c(c3)-c3cccc5cccc(c35)S4)o2)cc1
InChIInChI=1S/C32H20OS/c1-2-8-21(9-3-1)24-12-4-5-13-25(24)29-18-17-28(33-29)23-16-19-30-27(20-23)26-14-6-10-22-11-7-15-31(34-30)32(22)26/h1-20H
InChIKeyUNQNZQVXMIPAHQ-UHFFFAOYSA-N
MW452.58 g/mol
LogP9.57
Rot. Bonds3

About 2-(2-phenylphenyl)-5-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)furan

2-(2-phenylphenyl)-5-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)furan (PubChem CID 177297848) has the molecular formula C32H20OS and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-(2-phenylphenyl)-5-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)furan.

Molecular Properties

Compound Name2-(2-phenylphenyl)-5-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)furan
PubChem CID177297848
Molecular FormulaC32H20OS
Molecular Weight452.58 g/mol
Exact Mass452.12
IUPAC Name2-(2-phenylphenyl)-5-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)furan
SMILESc1ccc(-c2ccccc2-c2ccc(-c3ccc4c(c3)-c3cccc5cccc(c35)S4)o2)cc1
InChIInChI=1S/C32H20OS/c1-2-8-21(9-3-1)24-12-4-5-13-25(24)29-18-17-28(33-29)23-16-19-30-27(20-23)26-14-6-10-22-11-7-15-31(34-30)32(22)26/h1-20H
InChIKeyUNQNZQVXMIPAHQ-UHFFFAOYSA-N
XLogP9.57
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-phenylphenyl)-5-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)furan with MolForge

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Related Compounds

2-dibenzothiophen-1-yl-5-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)furan
CID 177298838
4-[5-[4-(3,4-diphenylphenyl)phenyl]thiophen-2-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177298978
4-(3-bromophenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 118532985
4-(9-methyl-9-phenylfluoren-4-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170015871
4-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170031427
9-phenyl-1-[4-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]carbazole
CID 177127872
4-[10-(4-fluorophenyl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;4-[2-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;4-[3-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;4-[4-(10-phenylanthracen-9-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 167555488
3-[1-dibenzofuran-3-yl-2-[3-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]ethyl]dibenzofuran
CID 163812058
4-spiro[benzo[b]fluorene-11,9'-fluorene]-3'-yl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170015863
9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]fluoren-2-amine
CID 118533002
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
12-[4-[4-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 170044952

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenyl)-5-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)furan?
The IUPAC name of 2-(2-phenylphenyl)-5-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)furan (CID 177297848) is 2-(2-phenylphenyl)-5-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)furan.
What is the SMILES notation for 2-(2-phenylphenyl)-5-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)furan?
The canonical SMILES for 2-(2-phenylphenyl)-5-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)furan is c1ccc(-c2ccccc2-c2ccc(-c3ccc4c(c3)-c3cccc5cccc(c35)S4)o2)cc1.
What is the InChIKey of 2-(2-phenylphenyl)-5-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)furan?
The InChIKey is UNQNZQVXMIPAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20OS/c1-2-8-21(9-3-1)24-12-4-5-13-25(24)29-18-17-28(33-29)23-16-19-30-27(20-23)26-14-6-10-22-11-7-15-31(34-30)32(22)26/h1-20H.
What are the key properties of 2-(2-phenylphenyl)-5-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)furan?
2-(2-phenylphenyl)-5-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)furan has a molecular weight of 452.58 g/mol, XLogP of 9.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenyl)-5-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)furan is sourced from PubChem (CID 177297848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).