CID 145132508

C26H17BN4 — CID 145132508

IUPAC—
SMILES[B]c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cn2)cc1
InChIInChI=1S/C26H17BN4/c27-22-14-11-18(12-15-22)23-16-13-21(17-28-23)26-30-24(19-7-3-1-4-8-19)29-25(31-26)20-9-5-2-6-10-20/h1-17H
InChIKeyQXBBOONIEPGMJN-UHFFFAOYSA-N
MW396.26 g/mol
LogP4.73
Rot. Bonds4

About CID 145132508

CID 145132508 (PubChem CID 145132508) has the molecular formula C26H17BN4 and a molecular weight of 396.26 g/mol.

Molecular Properties

Compound NameCID 145132508
PubChem CID145132508
Molecular FormulaC26H17BN4
Molecular Weight396.26 g/mol
Exact Mass396.15
IUPAC Name—
SMILES[B]c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cn2)cc1
InChIInChI=1S/C26H17BN4/c27-22-14-11-18(12-15-22)23-16-13-21(17-28-23)26-30-24(19-7-3-1-4-8-19)29-25(31-26)20-9-5-2-6-10-20/h1-17H
InChIKeyQXBBOONIEPGMJN-UHFFFAOYSA-N
XLogP4.73
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.26
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380728
2,4-bis(4-tert-butylphenyl)-6-[4-[4-(5-phenyl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 67334150
2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142734263
4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine
CID 146632020
2,4-diphenyl-6-[6-[4-phenyl-6-(6-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]-1,3,5-triazine
CID 164816912
2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 146633338
2,4-diphenyl-6-[3-[4-(6-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380937
2,4-diphenyl-6-(6-picen-2-yl-3-pyridinyl)-1,3,5-triazine
CID 167087639
2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 146632433
2-[4-[4-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165168249
2,4-diphenyl-6-[10-phenyl-9-(6-phenyl-3-pyridinyl)phenanthren-2-yl]-1,3,5-triazine
CID 162392887
2-phenyl-4-(4-phenylphenyl)-6-[3-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]phenyl]-1,3,5-triazine
CID 171832611

Frequently Asked Questions

What is the IUPAC name of CID 145132508?
The IUPAC name of CID 145132508 (CID 145132508) is not available.
What is the SMILES notation for CID 145132508?
The canonical SMILES for CID 145132508 is [B]c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cn2)cc1.
What is the InChIKey of CID 145132508?
The InChIKey is QXBBOONIEPGMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BN4/c27-22-14-11-18(12-15-22)23-16-13-21(17-28-23)26-30-24(19-7-3-1-4-8-19)29-25(31-26)20-9-5-2-6-10-20/h1-17H.
What are the key properties of CID 145132508?
CID 145132508 has a molecular weight of 396.26 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145132508 is sourced from PubChem (CID 145132508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).