1,1'-biphenyl;furan;naphthalene;thiophene

C30H26OS — CID 174915237

IUPAC1,1'-biphenyl;furan;naphthalene;thiophene
SMILESc1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.c1ccoc1.c1ccsc1
InChIInChI=1S/C12H10.C10H8.C4H4O.C4H4S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-4-5-3-1/h1-10H;1-8H;2*1-4H
InChIKeyOLBRMFSHDIWLAZ-UHFFFAOYSA-N
MW434.60 g/mol
LogP9.22
Rot. Bonds1

About 1,1'-biphenyl;furan;naphthalene;thiophene

1,1'-biphenyl;furan;naphthalene;thiophene (PubChem CID 174915237) has the molecular formula C30H26OS and a molecular weight of 434.60 g/mol. Its IUPAC name is 1,1'-biphenyl;furan;naphthalene;thiophene.

Molecular Properties

Compound Name1,1'-biphenyl;furan;naphthalene;thiophene
PubChem CID174915237
Molecular FormulaC30H26OS
Molecular Weight434.60 g/mol
Exact Mass434.17
IUPAC Name1,1'-biphenyl;furan;naphthalene;thiophene
SMILESc1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.c1ccoc1.c1ccsc1
InChIInChI=1S/C12H10.C10H8.C4H4O.C4H4S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-4-5-3-1/h1-10H;1-8H;2*1-4H
InChIKeyOLBRMFSHDIWLAZ-UHFFFAOYSA-N
XLogP9.22
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.60
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;furan;naphthalene;thiophene?
The IUPAC name of 1,1'-biphenyl;furan;naphthalene;thiophene (CID 174915237) is 1,1'-biphenyl;furan;naphthalene;thiophene.
What is the SMILES notation for 1,1'-biphenyl;furan;naphthalene;thiophene?
The canonical SMILES for 1,1'-biphenyl;furan;naphthalene;thiophene is c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.c1ccoc1.c1ccsc1.
What is the InChIKey of 1,1'-biphenyl;furan;naphthalene;thiophene?
The InChIKey is OLBRMFSHDIWLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C10H8.C4H4O.C4H4S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-4-5-3-1/h1-10H;1-8H;2*1-4H.
What are the key properties of 1,1'-biphenyl;furan;naphthalene;thiophene?
1,1'-biphenyl;furan;naphthalene;thiophene has a molecular weight of 434.60 g/mol, XLogP of 9.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;furan;naphthalene;thiophene is sourced from PubChem (CID 174915237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).