2-[3-[2-[[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-4-methylphenyl]-9-phenylcarbazole

C53H38N4 — CID 163921664

IUPAC2-[3-[2-[[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-4-methylphenyl]-9-phenylcarbazole
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1-c1ccccc1Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C53H38N4/c1-36-28-29-40(41-30-31-47-46-26-13-14-27-49(46)57(50(47)35-41)44-23-9-4-10-24-44)34-48(36)45-25-12-11-21-42(45)32-37-16-15-22-43(33-37)53-55-51(38-17-5-2-6-18-38)54-52(56-53)39-19-7-3-8-20-39/h2-31,33-35H,32H2,1H3
InChIKeyRAXIOAMNIIBSJE-UHFFFAOYSA-N
MW730.92 g/mol
LogP13.20
Rot. Bonds8

About 2-[3-[2-[[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-4-methylphenyl]-9-phenylcarbazole

2-[3-[2-[[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-4-methylphenyl]-9-phenylcarbazole (PubChem CID 163921664) has the molecular formula C53H38N4 and a molecular weight of 730.92 g/mol. Its IUPAC name is 2-[3-[2-[[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-4-methylphenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[3-[2-[[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-4-methylphenyl]-9-phenylcarbazole
PubChem CID163921664
Molecular FormulaC53H38N4
Molecular Weight730.92 g/mol
Exact Mass730.31
IUPAC Name2-[3-[2-[[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-4-methylphenyl]-9-phenylcarbazole
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1-c1ccccc1Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C53H38N4/c1-36-28-29-40(41-30-31-47-46-26-13-14-27-49(46)57(50(47)35-41)44-23-9-4-10-24-44)34-48(36)45-25-12-11-21-42(45)32-37-16-15-22-43(33-37)53-55-51(38-17-5-2-6-18-38)54-52(56-53)39-19-7-3-8-20-39/h2-31,33-35H,32H2,1H3
InChIKeyRAXIOAMNIIBSJE-UHFFFAOYSA-N
XLogP13.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.92
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-methylphenyl)-4-[(3-phenylphenyl)methyl]phenyl]-9-(3-phenylphenyl)carbazole
CID 166804730
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)carbazole
CID 146535538
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287119
3-[4-methyl-3-[2-[2-(3-phenylphenyl)ethyl]phenyl]phenyl]-9-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 163468628
9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171438085
3-[9-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144597221
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 121475607
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(2-phenylphenyl)phenyl]carbazole
CID 170539058
3-[3-[2-[2-(3-dibenzofuran-2-ylphenyl)ethyl]phenyl]-4-methylphenyl]-9-phenylcarbazole
CID 126760057
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 167378833
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 135144167

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-4-methylphenyl]-9-phenylcarbazole?
The IUPAC name of 2-[3-[2-[[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-4-methylphenyl]-9-phenylcarbazole (CID 163921664) is 2-[3-[2-[[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-4-methylphenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[3-[2-[[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-4-methylphenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[3-[2-[[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-4-methylphenyl]-9-phenylcarbazole is Cc1ccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1-c1ccccc1Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-[3-[2-[[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-4-methylphenyl]-9-phenylcarbazole?
The InChIKey is RAXIOAMNIIBSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N4/c1-36-28-29-40(41-30-31-47-46-26-13-14-27-49(46)57(50(47)35-41)44-23-9-4-10-24-44)34-48(36)45-25-12-11-21-42(45)32-37-16-15-22-43(33-37)53-55-51(38-17-5-2-6-18-38)54-52(56-53)39-19-7-3-8-20-39/h2-31,33-35H,32H2,1H3.
What are the key properties of 2-[3-[2-[[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-4-methylphenyl]-9-phenylcarbazole?
2-[3-[2-[[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-4-methylphenyl]-9-phenylcarbazole has a molecular weight of 730.92 g/mol, XLogP of 13.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-4-methylphenyl]-9-phenylcarbazole is sourced from PubChem (CID 163921664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).