CID 174083107

C46H22B7NO2 — CID 174083107

IUPAC—
SMILES[B]c1c([B])c([B])c2c(oc3c([B])c([B])c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5oc5c7ccccc7ccc65)cc4)c([B])c32)c1[B]
InChIInChI=1S/C46H22B7NO2/c47-36-33(37(48)41(52)45-34(36)35-38(49)39(50)40(51)42(53)46(35)56-45)26-15-20-28(21-16-26)54(27-18-13-24(14-19-27)23-7-2-1-3-8-23)32-12-6-11-30-31-22-17-25-9-4-5-10-29(25)43(31)55-44(30)32/h1-22H
InChIKeyHVFNQBUIDNWFGX-UHFFFAOYSA-N
MW696.37 g/mol
LogP5.00
Rot. Bonds5

About CID 174083107

CID 174083107 (PubChem CID 174083107) has the molecular formula C46H22B7NO2 and a molecular weight of 696.37 g/mol.

Molecular Properties

Compound NameCID 174083107
PubChem CID174083107
Molecular FormulaC46H22B7NO2
Molecular Weight696.37 g/mol
Exact Mass697.23
IUPAC Name—
SMILES[B]c1c([B])c([B])c2c(oc3c([B])c([B])c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5oc5c7ccccc7ccc65)cc4)c([B])c32)c1[B]
InChIInChI=1S/C46H22B7NO2/c47-36-33(37(48)41(52)45-34(36)35-38(49)39(50)40(51)42(53)46(35)56-45)26-15-20-28(21-16-26)54(27-18-13-24(14-19-27)23-7-2-1-3-8-23)32-12-6-11-30-31-22-17-25-9-4-5-10-29(25)43(31)55-44(30)32/h1-22H
InChIKeyHVFNQBUIDNWFGX-UHFFFAOYSA-N
XLogP5.00
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500696.37
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 174083107 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 174063425
CID 174063425
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167182004
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 169063295
4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 170372536
N-(9,10-diphenylphenanthren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 169062757
N-chrysen-6-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170140332
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804045
N,N-diphenyl-10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675548
CID 174066372
CID 174066372
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804081
N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804010
N-(4-dibenzofuran-3-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804046

Frequently Asked Questions

What is the IUPAC name of CID 174083107?
The IUPAC name of CID 174083107 (CID 174083107) is not available.
What is the SMILES notation for CID 174083107?
The canonical SMILES for CID 174083107 is [B]c1c([B])c([B])c2c(oc3c([B])c([B])c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5oc5c7ccccc7ccc65)cc4)c([B])c32)c1[B].
What is the InChIKey of CID 174083107?
The InChIKey is HVFNQBUIDNWFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H22B7NO2/c47-36-33(37(48)41(52)45-34(36)35-38(49)39(50)40(51)42(53)46(35)56-45)26-15-20-28(21-16-26)54(27-18-13-24(14-19-27)23-7-2-1-3-8-23)32-12-6-11-30-31-22-17-25-9-4-5-10-29(25)43(31)55-44(30)32/h1-22H.
What are the key properties of CID 174083107?
CID 174083107 has a molecular weight of 696.37 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174083107 is sourced from PubChem (CID 174083107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).