CID 174134759

C51H16B18N4S — CID 174134759

IUPAC—
SMILES[B]c1c([B])c([B])c(-c2c([B])c([B])c(N(c3c([B])c([B])c([B])c([B])c3[B])c3c([B])c([B])c(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c(c4)sc4ccccc45)c([B])c3[B])c([B])c2[B])c([B])c1[B]
InChIInChI=1S/C51H16B18N4S/c52-28-24(19-15-21(25-20-13-7-8-14-22(20)74-23(25)16-19)51-71-49(17-9-3-1-4-10-17)70-50(72-51)18-11-5-2-6-12-18)29(53)41(65)46(40(28)64)73(48-44(68)38(62)37(61)39(63)45(48)69)47-42(66)32(56)27(33(57)43(47)67)26-30(54)34(58)36(60)35(59)31(26)55/h1-16H
InChIKeyZZFIUYKOBJSHON-UHFFFAOYSA-N
MW911.40 g/mol
LogP-7.67
Rot. Bonds8

About CID 174134759

CID 174134759 (PubChem CID 174134759) has the molecular formula C51H16B18N4S and a molecular weight of 911.40 g/mol.

Molecular Properties

Compound NameCID 174134759
PubChem CID174134759
Molecular FormulaC51H16B18N4S
Molecular Weight911.40 g/mol
Exact Mass914.28
IUPAC Name—
SMILES[B]c1c([B])c([B])c(-c2c([B])c([B])c(N(c3c([B])c([B])c([B])c([B])c3[B])c3c([B])c([B])c(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c(c4)sc4ccccc45)c([B])c3[B])c([B])c2[B])c([B])c1[B]
InChIInChI=1S/C51H16B18N4S/c52-28-24(19-15-21(25-20-13-7-8-14-22(20)74-23(25)16-19)51-71-49(17-9-3-1-4-10-17)70-50(72-51)18-11-5-2-6-12-18)29(53)41(65)46(40(28)64)73(48-44(68)38(62)37(61)39(63)45(48)69)47-42(66)32(56)27(33(57)43(47)67)26-30(54)34(58)36(60)35(59)31(26)55/h1-16H
InChIKeyZZFIUYKOBJSHON-UHFFFAOYSA-N
XLogP-7.67
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500911.40
LogP ≤ 5-7.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 174134759 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

2-phenyl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850299
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 174328334
2-[1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 142453320
2-phenyl-4-[7-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378557
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 162775198
2-chloro-4-naphtho[2,1-b][1]benzothiol-5-yl-6-phenyl-1,3,5-triazine
CID 146660995
2-(1-phenanthren-2-yldibenzothiophen-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 174328600
2,4-diphenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199264
2,4-di(dibenzothiophen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139304948
CID 174133972
CID 174133972
2-naphthalen-2-yl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174328770
2,4-diphenyl-6-[9-[1-(4-phenylphenyl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 170210147

Frequently Asked Questions

What is the IUPAC name of CID 174134759?
The IUPAC name of CID 174134759 (CID 174134759) is not available.
What is the SMILES notation for CID 174134759?
The canonical SMILES for CID 174134759 is [B]c1c([B])c([B])c(-c2c([B])c([B])c(N(c3c([B])c([B])c([B])c([B])c3[B])c3c([B])c([B])c(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c(c4)sc4ccccc45)c([B])c3[B])c([B])c2[B])c([B])c1[B].
What is the InChIKey of CID 174134759?
The InChIKey is ZZFIUYKOBJSHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H16B18N4S/c52-28-24(19-15-21(25-20-13-7-8-14-22(20)74-23(25)16-19)51-71-49(17-9-3-1-4-10-17)70-50(72-51)18-11-5-2-6-12-18)29(53)41(65)46(40(28)64)73(48-44(68)38(62)37(61)39(63)45(48)69)47-42(66)32(56)27(33(57)43(47)67)26-30(54)34(58)36(60)35(59)31(26)55/h1-16H.
What are the key properties of CID 174134759?
CID 174134759 has a molecular weight of 911.40 g/mol, XLogP of -7.67, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174134759 is sourced from PubChem (CID 174134759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).