CID 162733250

C45H18B10N4O — CID 162733250

IUPAC—
SMILES[B]c1c([B])c([B])c(-c2nc(-c3c([B])c([B])c([B])c([B])c3[B])nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)n2)c([B])c1[B]
InChIInChI=1S/C45H18B10N4O/c46-33-31(34(47)38(51)41(54)37(33)50)44-56-43(57-45(58-44)32-35(48)39(52)42(55)40(53)36(32)49)23-10-6-12-29-30(23)25-18-20(14-16-28(25)60-29)19-13-15-27-24(17-19)22-9-4-5-11-26(22)59(27)21-7-2-1-3-8-21/h1-18H
InChIKeyOEZIGRNRKQMHPX-UHFFFAOYSA-N
MW738.79 g/mol
LogP-0.53
Rot. Bonds5

About CID 162733250

CID 162733250 (PubChem CID 162733250) has the molecular formula C45H18B10N4O and a molecular weight of 738.79 g/mol.

Molecular Properties

Compound NameCID 162733250
PubChem CID162733250
Molecular FormulaC45H18B10N4O
Molecular Weight738.79 g/mol
Exact Mass740.24
IUPAC Name—
SMILES[B]c1c([B])c([B])c(-c2nc(-c3c([B])c([B])c([B])c([B])c3[B])nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)n2)c([B])c1[B]
InChIInChI=1S/C45H18B10N4O/c46-33-31(34(47)38(51)41(54)37(33)50)44-56-43(57-45(58-44)32-35(48)39(52)42(55)40(53)36(32)49)23-10-6-12-29-30(23)25-18-20(14-16-28(25)60-29)19-13-15-27-24(17-19)22-9-4-5-11-26(22)59(27)21-7-2-1-3-8-21/h1-18H
InChIKeyOEZIGRNRKQMHPX-UHFFFAOYSA-N
XLogP-0.53
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500738.79
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 162733250 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

3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 167377389
3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 118507827
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 165008539
3-[2-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602257
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)-6-[8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377446
CID 174102437
CID 174102437
3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 168768529
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168767935
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[8-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377414
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154

Frequently Asked Questions

What is the IUPAC name of CID 162733250?
The IUPAC name of CID 162733250 (CID 162733250) is not available.
What is the SMILES notation for CID 162733250?
The canonical SMILES for CID 162733250 is [B]c1c([B])c([B])c(-c2nc(-c3c([B])c([B])c([B])c([B])c3[B])nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)n2)c([B])c1[B].
What is the InChIKey of CID 162733250?
The InChIKey is OEZIGRNRKQMHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H18B10N4O/c46-33-31(34(47)38(51)41(54)37(33)50)44-56-43(57-45(58-44)32-35(48)39(52)42(55)40(53)36(32)49)23-10-6-12-29-30(23)25-18-20(14-16-28(25)60-29)19-13-15-27-24(17-19)22-9-4-5-11-26(22)59(27)21-7-2-1-3-8-21/h1-18H.
What are the key properties of CID 162733250?
CID 162733250 has a molecular weight of 738.79 g/mol, XLogP of -0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162733250 is sourced from PubChem (CID 162733250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).