CID 145327274

C41H26BN3 — CID 145327274

IUPAC—
SMILES[B]c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc23)c2ccccc12
InChIInChI=1S/C41H26BN3/c42-38-26-25-36(34-17-9-10-18-37(34)38)35-24-23-31(32-15-7-8-16-33(32)35)27-19-21-30(22-20-27)41-44-39(28-11-3-1-4-12-28)43-40(45-41)29-13-5-2-6-14-29/h1-26H
InChIKeyDOSJIGOVRAFHHU-UHFFFAOYSA-N
MW571.49 g/mol
LogP9.31
Rot. Bonds5

About CID 145327274

CID 145327274 (PubChem CID 145327274) has the molecular formula C41H26BN3 and a molecular weight of 571.49 g/mol.

Molecular Properties

Compound NameCID 145327274
PubChem CID145327274
Molecular FormulaC41H26BN3
Molecular Weight571.49 g/mol
Exact Mass571.22
IUPAC Name—
SMILES[B]c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc23)c2ccccc12
InChIInChI=1S/C41H26BN3/c42-38-26-25-36(34-17-9-10-18-37(34)38)35-24-23-31(32-15-7-8-16-33(32)35)27-19-21-30(22-20-27)41-44-39(28-11-3-1-4-12-28)43-40(45-41)29-13-5-2-6-14-29/h1-26H
InChIKeyDOSJIGOVRAFHHU-UHFFFAOYSA-N
XLogP9.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.49
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171439560
2,4-diphenyl-6-[4-[4-(3,5,6-triphenylpyrazin-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 156562540
2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 155105161
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
CID 163784067
CID 163784067
2-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 134320671
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-[4-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901945
2-[4-[4-(2-fluoranthen-3-ylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170003614
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168483
4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]benzonitrile
CID 146326937
2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402218

Frequently Asked Questions

What is the IUPAC name of CID 145327274?
The IUPAC name of CID 145327274 (CID 145327274) is not available.
What is the SMILES notation for CID 145327274?
The canonical SMILES for CID 145327274 is [B]c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc23)c2ccccc12.
What is the InChIKey of CID 145327274?
The InChIKey is DOSJIGOVRAFHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26BN3/c42-38-26-25-36(34-17-9-10-18-37(34)38)35-24-23-31(32-15-7-8-16-33(32)35)27-19-21-30(22-20-27)41-44-39(28-11-3-1-4-12-28)43-40(45-41)29-13-5-2-6-14-29/h1-26H.
What are the key properties of CID 145327274?
CID 145327274 has a molecular weight of 571.49 g/mol, XLogP of 9.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145327274 is sourced from PubChem (CID 145327274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).