CID 166569786

C47H28NO — CID 166569786

IUPAC—
SMILESc1ccc2c(c1)[C](C(=C1c3ccccc3-c3ccccc31)c1ccc(-n3c4ccccc4c4oc5ccccc5c43)cc1)c1ccccc1-2
InChIInChI=1S/C47H28NO/c1-5-17-35-31(13-1)32-14-2-6-18-36(32)44(35)43(45-37-19-7-3-15-33(37)34-16-4-8-20-38(34)45)29-25-27-30(28-26-29)48-41-23-11-9-21-39(41)47-46(48)40-22-10-12-24-42(40)49-47/h1-28H
InChIKeyGPIYMUYXSHZPOT-UHFFFAOYSA-N
MW622.75 g/mol
LogP12.12
Rot. Bonds3

About CID 166569786

CID 166569786 (PubChem CID 166569786) has the molecular formula C47H28NO and a molecular weight of 622.75 g/mol.

Molecular Properties

Compound NameCID 166569786
PubChem CID166569786
Molecular FormulaC47H28NO
Molecular Weight622.75 g/mol
Exact Mass622.22
IUPAC Name—
SMILESc1ccc2c(c1)[C](C(=C1c3ccccc3-c3ccccc31)c1ccc(-n3c4ccccc4c4oc5ccccc5c43)cc1)c1ccccc1-2
InChIInChI=1S/C47H28NO/c1-5-17-35-31(13-1)32-14-2-6-18-36(32)44(35)43(45-37-19-7-3-15-33(37)34-16-4-8-20-38(34)45)29-25-27-30(28-26-29)48-41-23-11-9-21-39(41)47-46(48)40-22-10-12-24-42(40)49-47/h1-28H
InChIKeyGPIYMUYXSHZPOT-UHFFFAOYSA-N
XLogP12.12
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.75
LogP ≤ 512.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-dibenzofuran-1-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828494
7-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828561
CID 166569763
CID 166569763
6-(3-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828171
10-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]indole
CID 121298634
7-dibenzofuran-4-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828575
10-[4-(2,5,6-triphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 163894109
6-(3-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164827720
12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole
CID 129291278
12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126580353
8-(2-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828376
10-(3-bromophenyl)-[1]benzofuro[3,2-b]indole
CID 176780467

Frequently Asked Questions

What is the IUPAC name of CID 166569786?
The IUPAC name of CID 166569786 (CID 166569786) is not available.
What is the SMILES notation for CID 166569786?
The canonical SMILES for CID 166569786 is c1ccc2c(c1)[C](C(=C1c3ccccc3-c3ccccc31)c1ccc(-n3c4ccccc4c4oc5ccccc5c43)cc1)c1ccccc1-2.
What is the InChIKey of CID 166569786?
The InChIKey is GPIYMUYXSHZPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28NO/c1-5-17-35-31(13-1)32-14-2-6-18-36(32)44(35)43(45-37-19-7-3-15-33(37)34-16-4-8-20-38(34)45)29-25-27-30(28-26-29)48-41-23-11-9-21-39(41)47-46(48)40-22-10-12-24-42(40)49-47/h1-28H.
What are the key properties of CID 166569786?
CID 166569786 has a molecular weight of 622.75 g/mol, XLogP of 12.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166569786 is sourced from PubChem (CID 166569786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).