CID 166569763

C45H27O — CID 166569763

IUPAC—
SMILESc1ccc2c(c1)[C](C(=C1c3ccccc3-c3ccccc31)c1ccc(-c3ccc4c(c3)oc3ccccc34)cc1)c1ccccc1-2
InChIInChI=1S/C45H27O/c1-5-16-37-31(11-1)32-12-2-6-17-38(32)44(37)43(45-39-18-7-3-13-33(39)34-14-4-8-19-40(34)45)29-23-21-28(22-24-29)30-25-26-36-35-15-9-10-20-41(35)46-42(36)27-30/h1-27H
InChIKeyBJKYKKFTIZIJJG-UHFFFAOYSA-N
MW583.71 g/mol
LogP11.84
Rot. Bonds3

About CID 166569763

CID 166569763 (PubChem CID 166569763) has the molecular formula C45H27O and a molecular weight of 583.71 g/mol.

Molecular Properties

Compound NameCID 166569763
PubChem CID166569763
Molecular FormulaC45H27O
Molecular Weight583.71 g/mol
Exact Mass583.21
IUPAC Name—
SMILESc1ccc2c(c1)[C](C(=C1c3ccccc3-c3ccccc31)c1ccc(-c3ccc4c(c3)oc3ccccc34)cc1)c1ccccc1-2
InChIInChI=1S/C45H27O/c1-5-16-37-31(11-1)32-12-2-6-17-38(32)44(37)43(45-39-18-7-3-13-33(39)34-14-4-8-19-40(34)45)29-23-21-28(22-24-29)30-25-26-36-35-15-9-10-20-41(35)46-42(36)27-30/h1-27H
InChIKeyBJKYKKFTIZIJJG-UHFFFAOYSA-N
XLogP11.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.71
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 166569790
CID 166569790
3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran
CID 138553319
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
2-(4-dibenzofuran-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251319
3-[4-(2-phenanthren-9-ylphenyl)phenyl]dibenzofuran
CID 174107449
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
2-dibenzofuran-3-yl-4-(3-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850239
4-dibenzofuran-3-yl-1-methyl-2,6-bis(2-methylphenyl)pyridin-1-ium
CID 170244640
2-[4-[8-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170193050
3-(2-chlorophenyl)dibenzofuran
CID 138667405
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
3-(2-fluorophenyl)dibenzofuran
CID 176831249

Frequently Asked Questions

What is the IUPAC name of CID 166569763?
The IUPAC name of CID 166569763 (CID 166569763) is not available.
What is the SMILES notation for CID 166569763?
The canonical SMILES for CID 166569763 is c1ccc2c(c1)[C](C(=C1c3ccccc3-c3ccccc31)c1ccc(-c3ccc4c(c3)oc3ccccc34)cc1)c1ccccc1-2.
What is the InChIKey of CID 166569763?
The InChIKey is BJKYKKFTIZIJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27O/c1-5-16-37-31(11-1)32-12-2-6-17-38(32)44(37)43(45-39-18-7-3-13-33(39)34-14-4-8-19-40(34)45)29-23-21-28(22-24-29)30-25-26-36-35-15-9-10-20-41(35)46-42(36)27-30/h1-27H.
What are the key properties of CID 166569763?
CID 166569763 has a molecular weight of 583.71 g/mol, XLogP of 11.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166569763 is sourced from PubChem (CID 166569763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).