5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-11,11-diphenylindeno[1,2-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole

C138H88N18 — CID 157096801

IUPAC5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-11,11-diphenylindeno[1,2-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)nc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4C6(c4ccccc4)c4ccccc4)n3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cnc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)nc3)n2)cc1
InChIInChI=1S/C51H33N5.C44H28N6.C43H27N7/c1-5-18-34(19-6-1)48-53-49(35-20-7-2-8-21-35)55-50(54-48)44-29-17-31-47(52-44)56-45-30-16-14-27-39(45)41-32-43-40(33-46(41)56)38-26-13-15-28-42(38)51(43,36-22-9-3-10-23-36)37-24-11-4-12-25-37;1-4-14-29(15-5-1)42-46-43(30-16-6-2-7-17-30)48-44(47-42)31-24-27-39(45-28-31)50-36-22-12-10-20-33(36)34-25-26-38-40(41(34)50)35-21-11-13-23-37(35)49(38)32-18-8-3-9-19-32;1-4-14-28(15-5-1)40-46-41(29-16-6-2-7-17-29)48-42(47-40)30-26-44-43(45-27-30)50-35-22-12-10-20-32(35)33-24-25-37-38(39(33)50)34-21-11-13-23-36(34)49(37)31-18-8-3-9-19-31/h1-33H;1-28H;1-27H
InChIKeyAFHMMTLCKBGBFZ-UHFFFAOYSA-N
MW1998.35 g/mol
LogP32.05
Rot. Bonds16

About 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-11,11-diphenylindeno[1,2-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole

5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-11,11-diphenylindeno[1,2-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 157096801) has the molecular formula C138H88N18 and a molecular weight of 1998.35 g/mol. Its IUPAC name is 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-11,11-diphenylindeno[1,2-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-11,11-diphenylindeno[1,2-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole
PubChem CID157096801
Molecular FormulaC138H88N18
Molecular Weight1998.35 g/mol
Exact Mass1996.74
IUPAC Name5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-11,11-diphenylindeno[1,2-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)nc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4C6(c4ccccc4)c4ccccc4)n3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cnc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)nc3)n2)cc1
InChIInChI=1S/C51H33N5.C44H28N6.C43H27N7/c1-5-18-34(19-6-1)48-53-49(35-20-7-2-8-21-35)55-50(54-48)44-29-17-31-47(52-44)56-45-30-16-14-27-39(45)41-32-43-40(33-46(41)56)38-26-13-15-28-42(38)51(43,36-22-9-3-10-23-36)37-24-11-4-12-25-37;1-4-14-29(15-5-1)42-46-43(30-16-6-2-7-17-30)48-44(47-42)31-24-27-39(45-28-31)50-36-22-12-10-20-33(36)34-25-26-38-40(41(34)50)35-21-11-13-23-37(35)49(38)32-18-8-3-9-19-32;1-4-14-28(15-5-1)40-46-41(29-16-6-2-7-17-29)48-42(47-40)30-26-44-43(45-27-30)50-35-22-12-10-20-32(35)33-24-25-37-38(39(33)50)34-21-11-13-23-36(34)49(37)31-18-8-3-9-19-31/h1-33H;1-28H;1-27H
InChIKeyAFHMMTLCKBGBFZ-UHFFFAOYSA-N
XLogP32.05
TPSA192.22 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001998.35
LogP ≤ 532.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-11,11-diphenylindeno[1,2-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole with MolForge

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Related Compounds

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7-(3,10-Diphenylpyrrolo[3,2-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole
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2,7-Ditert-butyl-4-[2-[6-tert-butyl-9-[3-[3-tert-butyl-6-[1-[9-[3-(2-carbazol-9-ylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazol-3-yl]-2-methylpropyl]-9-[3-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole
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2-[3-[5-[9-[2-Cyano-5-[2-cyano-6-(trifluoromethyl)phenyl]-3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]phenyl]-2,7-di(pyrimidin-2-yl)carbazol-3-yl]pyrimidin-2-yl]-6-pyrimidin-2-ylcarbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]-6-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile
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3-[2-Cyano-6-(trifluoromethyl)phenyl]-2,6-bis[2,7-di(pyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 137381557

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-11,11-diphenylindeno[1,2-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-11,11-diphenylindeno[1,2-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole (CID 157096801) is 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-11,11-diphenylindeno[1,2-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-11,11-diphenylindeno[1,2-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-11,11-diphenylindeno[1,2-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)nc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4C6(c4ccccc4)c4ccccc4)n3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cnc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)nc3)n2)cc1.
What is the InChIKey of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-11,11-diphenylindeno[1,2-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole?
The InChIKey is AFHMMTLCKBGBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5.C44H28N6.C43H27N7/c1-5-18-34(19-6-1)48-53-49(35-20-7-2-8-21-35)55-50(54-48)44-29-17-31-47(52-44)56-45-30-16-14-27-39(45)41-32-43-40(33-46(41)56)38-26-13-15-28-42(38)51(43,36-22-9-3-10-23-36)37-24-11-4-12-25-37;1-4-14-29(15-5-1)42-46-43(30-16-6-2-7-17-30)48-44(47-42)31-24-27-39(45-28-31)50-36-22-12-10-20-33(36)34-25-26-38-40(41(34)50)35-21-11-13-23-37(35)49(38)32-18-8-3-9-19-32;1-4-14-28(15-5-1)40-46-41(29-16-6-2-7-17-29)48-42(47-40)30-26-44-43(45-27-30)50-35-22-12-10-20-32(35)33-24-25-37-38(39(33)50)34-21-11-13-23-36(34)49(37)31-18-8-3-9-19-31/h1-33H;1-28H;1-27H.
What are the key properties of 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-11,11-diphenylindeno[1,2-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole?
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-11,11-diphenylindeno[1,2-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 1998.35 g/mol, XLogP of 32.05, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-11,11-diphenylindeno[1,2-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 157096801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).