CID 174010361

C46H20B8O — CID 174010361

IUPAC—
SMILES[B]c1c([B])c([B])c2c(-c3cc4ccccc4c4ccccc34)c3c([B])c([B])c([B])c([B])c3c(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)c2c1[B]
InChIInChI=1S/C46H20B8O/c47-39-35-32(22-18-16-21(17-19-22)25-13-7-15-31-33(25)28-12-5-6-14-30(28)55-31)36-38(42(50)46(54)44(52)40(36)48)34(37(35)41(49)45(53)43(39)51)29-20-23-8-1-2-9-24(23)26-10-3-4-11-27(26)29/h1-20H
InChIKeyOTYRNSXUXOQXCR-UHFFFAOYSA-N
MW675.16 g/mol
LogP3.55
Rot. Bonds3

About CID 174010361

CID 174010361 (PubChem CID 174010361) has the molecular formula C46H20B8O and a molecular weight of 675.16 g/mol.

Molecular Properties

Compound NameCID 174010361
PubChem CID174010361
Molecular FormulaC46H20B8O
Molecular Weight675.16 g/mol
Exact Mass676.23
IUPAC Name—
SMILES[B]c1c([B])c([B])c2c(-c3cc4ccccc4c4ccccc34)c3c([B])c([B])c([B])c([B])c3c(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)c2c1[B]
InChIInChI=1S/C46H20B8O/c47-39-35-32(22-18-16-21(17-19-22)25-13-7-15-31-33(25)28-12-5-6-14-30(28)55-31)36-38(42(50)46(54)44(52)40(36)48)34(37(35)41(49)45(53)43(39)51)29-20-23-8-1-2-9-24(23)26-10-3-4-11-27(26)29/h1-20H
InChIKeyOTYRNSXUXOQXCR-UHFFFAOYSA-N
XLogP3.55
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500675.16
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze CID 174010361 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 174028694
CID 174028694
CID 174027215
CID 174027215
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine
CID 139304153
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 118563907
CID 174034833
CID 174034833
CID 174010366
CID 174010366
CID 174034839
CID 174034839
N-(4-dibenzofuran-1-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
CID 177274685
N-(4-dibenzofuran-1-ylphenyl)-3-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 142614686
CID 174140589
CID 174140589
4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 121460845
2-(6-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine
CID 166743635

Frequently Asked Questions

What is the IUPAC name of CID 174010361?
The IUPAC name of CID 174010361 (CID 174010361) is not available.
What is the SMILES notation for CID 174010361?
The canonical SMILES for CID 174010361 is [B]c1c([B])c([B])c2c(-c3cc4ccccc4c4ccccc34)c3c([B])c([B])c([B])c([B])c3c(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)c2c1[B].
What is the InChIKey of CID 174010361?
The InChIKey is OTYRNSXUXOQXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H20B8O/c47-39-35-32(22-18-16-21(17-19-22)25-13-7-15-31-33(25)28-12-5-6-14-30(28)55-31)36-38(42(50)46(54)44(52)40(36)48)34(37(35)41(49)45(53)43(39)51)29-20-23-8-1-2-9-24(23)26-10-3-4-11-27(26)29/h1-20H.
What are the key properties of CID 174010361?
CID 174010361 has a molecular weight of 675.16 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174010361 is sourced from PubChem (CID 174010361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).