CID 175620126

C48H25B8NO — CID 175620126

IUPAC—
SMILES[B]c1c([B])c(N(c2ccc(-c3ccccc3)cc2)c2c([B])c([B])c(-c3ccc4oc5ccccc5c4c3)c([B])c2[B])c([B])c([B])c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C48H25B8NO/c49-39-37(30-17-15-28(16-18-30)26-9-3-1-4-10-26)40(50)44(54)47(43(39)53)57(32-22-19-29(20-23-32)27-11-5-2-6-12-27)48-45(55)41(51)38(42(52)46(48)56)31-21-24-36-34(25-31)33-13-7-8-14-35(33)58-36/h1-25H
InChIKeyYZPRPSIVFNVDDN-UHFFFAOYSA-N
MW718.23 g/mol
LogP4.07
Rot. Bonds7

About CID 175620126

CID 175620126 (PubChem CID 175620126) has the molecular formula C48H25B8NO and a molecular weight of 718.23 g/mol.

Molecular Properties

Compound NameCID 175620126
PubChem CID175620126
Molecular FormulaC48H25B8NO
Molecular Weight718.23 g/mol
Exact Mass719.27
IUPAC Name—
SMILES[B]c1c([B])c(N(c2ccc(-c3ccccc3)cc2)c2c([B])c([B])c(-c3ccc4oc5ccccc5c4c3)c([B])c2[B])c([B])c([B])c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C48H25B8NO/c49-39-37(30-17-15-28(16-18-30)26-9-3-1-4-10-26)40(50)44(54)47(43(39)53)57(32-22-19-29(20-23-32)27-11-5-2-6-12-27)48-45(55)41(51)38(42(52)46(48)56)31-21-24-36-34(25-31)33-13-7-8-14-35(33)58-36/h1-25H
InChIKeyYZPRPSIVFNVDDN-UHFFFAOYSA-N
XLogP4.07
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500718.23
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 174246166
CID 174246166
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
CID 58510590
3-N,3-N-bis(4-dibenzofuran-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605075
CID 168994111
CID 168994111
N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 118405810
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605062
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 171451079

Frequently Asked Questions

What is the IUPAC name of CID 175620126?
The IUPAC name of CID 175620126 (CID 175620126) is not available.
What is the SMILES notation for CID 175620126?
The canonical SMILES for CID 175620126 is [B]c1c([B])c(N(c2ccc(-c3ccccc3)cc2)c2c([B])c([B])c(-c3ccc4oc5ccccc5c4c3)c([B])c2[B])c([B])c([B])c1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of CID 175620126?
The InChIKey is YZPRPSIVFNVDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H25B8NO/c49-39-37(30-17-15-28(16-18-30)26-9-3-1-4-10-26)40(50)44(54)47(43(39)53)57(32-22-19-29(20-23-32)27-11-5-2-6-12-27)48-45(55)41(51)38(42(52)46(48)56)31-21-24-36-34(25-31)33-13-7-8-14-35(33)58-36/h1-25H.
What are the key properties of CID 175620126?
CID 175620126 has a molecular weight of 718.23 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175620126 is sourced from PubChem (CID 175620126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).