CID 155765294

C33H20BN5 — CID 155765294

IUPAC—
SMILES[B]c1cnc2c(ccc3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cnc32)c1
InChIInChI=1S/C33H20BN5/c34-28-18-26-16-15-25-17-27(19-35-29(25)30(26)36-20-28)21-11-13-24(14-12-21)33-38-31(22-7-3-1-4-8-22)37-32(39-33)23-9-5-2-6-10-23/h1-20H
InChIKeyZHZJCAKASFTGQM-UHFFFAOYSA-N
MW497.37 g/mol
LogP6.43
Rot. Bonds4

About CID 155765294

CID 155765294 (PubChem CID 155765294) has the molecular formula C33H20BN5 and a molecular weight of 497.37 g/mol.

Molecular Properties

Compound NameCID 155765294
PubChem CID155765294
Molecular FormulaC33H20BN5
Molecular Weight497.37 g/mol
Exact Mass497.18
IUPAC Name—
SMILES[B]c1cnc2c(ccc3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cnc32)c1
InChIInChI=1S/C33H20BN5/c34-28-18-26-16-15-25-17-27(19-35-29(25)30(26)36-20-28)21-11-13-24(14-12-21)33-38-31(22-7-3-1-4-8-22)37-32(39-33)23-9-5-2-6-10-23/h1-20H
InChIKeyZHZJCAKASFTGQM-UHFFFAOYSA-N
XLogP6.43
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.37
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-phenanthroline
CID 155765300
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402315
2-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 18787948
2,4-diphenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166737815
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
CID 122426515
3-[6-(1,10-phenanthrolin-3-yl)-2-phenylpyrimidin-4-yl]-1,10-phenanthroline
CID 146474053
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
3-[4-[4-naphthalen-1-yl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-[4-naphthalen-2-yl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline;3-[4-[4-phenyl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 161219617
3-[4-[4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118405011
9-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-3-yl]-11-phenylbenzo[a]carbazole
CID 142621940

Frequently Asked Questions

What is the IUPAC name of CID 155765294?
The IUPAC name of CID 155765294 (CID 155765294) is not available.
What is the SMILES notation for CID 155765294?
The canonical SMILES for CID 155765294 is [B]c1cnc2c(ccc3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cnc32)c1.
What is the InChIKey of CID 155765294?
The InChIKey is ZHZJCAKASFTGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20BN5/c34-28-18-26-16-15-25-17-27(19-35-29(25)30(26)36-20-28)21-11-13-24(14-12-21)33-38-31(22-7-3-1-4-8-22)37-32(39-33)23-9-5-2-6-10-23/h1-20H.
What are the key properties of CID 155765294?
CID 155765294 has a molecular weight of 497.37 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155765294 is sourced from PubChem (CID 155765294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).