2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine

C54H38N4 — CID 58233399

IUPAC2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)cc1
InChIInChI=1S/C54H38N4/c1-35-21-26-40(27-22-35)58(41-28-23-36(2)24-29-41)42-30-32-46-44-18-10-12-20-48(44)54(50(46)34-42)47-19-11-9-17-43(47)45-31-25-39(33-49(45)54)53-56-51(37-13-5-3-6-14-37)55-52(57-53)38-15-7-4-8-16-38/h3-34H,1-2H3
InChIKeyKLSIJARJJCAQMR-UHFFFAOYSA-N
MW742.93 g/mol
LogP13.30
Rot. Bonds6

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 58233399) has the molecular formula C54H38N4 and a molecular weight of 742.93 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine
PubChem CID58233399
Molecular FormulaC54H38N4
Molecular Weight742.93 g/mol
Exact Mass742.31
IUPAC Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)cc1
InChIInChI=1S/C54H38N4/c1-35-21-26-40(27-22-35)58(41-28-23-36(2)24-29-41)42-30-32-46-44-18-10-12-20-48(44)54(50(46)34-42)47-19-11-9-17-43(47)45-31-25-39(33-49(45)54)53-56-51(37-13-5-3-6-14-37)55-52(57-53)38-15-7-4-8-16-38/h3-34H,1-2H3
InChIKeyKLSIJARJJCAQMR-UHFFFAOYSA-N
XLogP13.30
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.93
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine (CID 58233399) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc42)c2ccccc2-3)cc1.
What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is KLSIJARJJCAQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N4/c1-35-21-26-40(27-22-35)58(41-28-23-36(2)24-29-41)42-30-32-46-44-18-10-12-20-48(44)54(50(46)34-42)47-19-11-9-17-43(47)45-31-25-39(33-49(45)54)53-56-51(37-13-5-3-6-14-37)55-52(57-53)38-15-7-4-8-16-38/h3-34H,1-2H3.
What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 742.93 g/mol, XLogP of 13.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 58233399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).