9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole

C51H33N5 — CID 170669730

IUPAC9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5c(-c6ccccc6)cccc54)n3)cc2)cc1
InChIInChI=1S/C51H33N5/c1-3-16-34(17-4-1)35-30-32-37(33-31-35)49-52-50(42-23-10-14-28-46(42)55-43-25-11-7-20-39(43)40-21-8-12-26-44(40)55)54-51(53-49)56-45-27-13-9-22-41(45)48-38(24-15-29-47(48)56)36-18-5-2-6-19-36/h1-33H
InChIKeyJTDGXHHAZMAGKC-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.73
Rot. Bonds6

About 9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole

9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole (PubChem CID 170669730) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole.

Molecular Properties

Compound Name9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole
PubChem CID170669730
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5c(-c6ccccc6)cccc54)n3)cc2)cc1
InChIInChI=1S/C51H33N5/c1-3-16-34(17-4-1)35-30-32-37(33-31-35)49-52-50(42-23-10-14-28-46(42)55-43-25-11-7-20-39(43)40-21-8-12-26-44(40)55)54-51(53-49)56-45-27-13-9-22-41(45)48-38(24-15-29-47(48)56)36-18-5-2-6-19-36/h1-33H
InChIKeyJTDGXHHAZMAGKC-UHFFFAOYSA-N
XLogP12.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 147194061
4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032359
5-[2-[4-phenyl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]pyrido[4,3-b]indole
CID 176634797
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-4-phenylcarbazole
CID 177099854
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 169037460
9-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169036954
9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-[9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-4-yl]carbazole
CID 176871191
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-[3-(4-phenylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 175616585
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 169037359
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 169036916
9-[4-(9-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 163690161
4-carbazol-9-yl-9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 142537341

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole?
The IUPAC name of 9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole (CID 170669730) is 9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole.
What is the SMILES notation for 9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole?
The canonical SMILES for 9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5c(-c6ccccc6)cccc54)n3)cc2)cc1.
What is the InChIKey of 9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole?
The InChIKey is JTDGXHHAZMAGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-3-16-34(17-4-1)35-30-32-37(33-31-35)49-52-50(42-23-10-14-28-46(42)55-43-25-11-7-20-39(43)40-21-8-12-26-44(40)55)54-51(53-49)56-45-27-13-9-22-41(45)48-38(24-15-29-47(48)56)36-18-5-2-6-19-36/h1-33H.
What are the key properties of 9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole?
9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole has a molecular weight of 715.86 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenylcarbazole is sourced from PubChem (CID 170669730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).