5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-diphenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-methyl-7-phenylindeno[2,1-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole

C232H151N25OS — CID 164985891

IUPAC5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-diphenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-methyl-7-phenylindeno[2,1-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccc(-c5ccccc5)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)c3cc21.CC1(c2ccccc2)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)c3cc21.c1ccc(-c2ccc3c4ccc5c6ccccc6oc5c4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)c3c2)cc1.c1ccc(-c2ccc3c4ccc5c6ccccc6sc5c4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)nc3)n2)cc1
InChIInChI=1S/C51H33N5.C47H33N5.C46H31N5.C44H27N5O.C44H27N5S/c1-5-17-34(18-6-1)48-53-49(35-19-7-2-8-20-35)55-50(54-48)36-29-30-47(52-33-36)56-45-28-16-14-26-40(45)42-31-41-39-25-13-15-27-43(39)51(44(41)32-46(42)56,37-21-9-3-10-22-37)38-23-11-4-12-24-38;1-47(2)39-21-13-12-20-35(39)37-27-38-36-24-22-33(30-14-6-3-7-15-30)26-41(36)52(42(38)28-40(37)47)43-25-23-34(29-48-43)46-50-44(31-16-8-4-9-17-31)49-45(51-46)32-18-10-5-11-19-32;1-46(33-19-9-4-10-20-33)38-23-13-11-21-34(38)36-27-37-35-22-12-14-24-40(35)51(41(37)28-39(36)46)42-26-25-32(29-47-42)45-49-43(30-15-5-2-6-16-30)48-44(50-45)31-17-7-3-8-18-31;2*1-4-12-28(13-5-1)31-20-22-33-35-23-24-36-34-18-10-11-19-38(34)50-41(36)40(35)49(37(33)26-31)39-25-21-32(27-45-39)44-47-42(29-14-6-2-7-15-29)46-43(48-44)30-16-8-3-9-17-30/h1-33H;3-29H,1-2H3;2-29H,1H3;2*1-27H
InChIKeyGDRPUDALWCWLFW-UHFFFAOYSA-N
MW3337.00 g/mol
LogP56.10
Rot. Bonds26

About 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-diphenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-methyl-7-phenylindeno[2,1-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole

5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-diphenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-methyl-7-phenylindeno[2,1-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole (PubChem CID 164985891) has the molecular formula C232H151N25OS and a molecular weight of 3337.00 g/mol. Its IUPAC name is 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-diphenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-methyl-7-phenylindeno[2,1-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-diphenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-methyl-7-phenylindeno[2,1-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole
PubChem CID164985891
Molecular FormulaC232H151N25OS
Molecular Weight3337.00 g/mol
Exact Mass3334.23
IUPAC Name5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-diphenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-methyl-7-phenylindeno[2,1-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccc(-c5ccccc5)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)c3cc21.CC1(c2ccccc2)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)c3cc21.c1ccc(-c2ccc3c4ccc5c6ccccc6oc5c4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)c3c2)cc1.c1ccc(-c2ccc3c4ccc5c6ccccc6sc5c4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)nc3)n2)cc1
InChIInChI=1S/C51H33N5.C47H33N5.C46H31N5.C44H27N5O.C44H27N5S/c1-5-17-34(18-6-1)48-53-49(35-19-7-2-8-20-35)55-50(54-48)36-29-30-47(52-33-36)56-45-28-16-14-26-40(45)42-31-41-39-25-13-15-27-43(39)51(44(41)32-46(42)56,37-21-9-3-10-22-37)38-23-11-4-12-24-38;1-47(2)39-21-13-12-20-35(39)37-27-38-36-24-22-33(30-14-6-3-7-15-30)26-41(36)52(42(38)28-40(37)47)43-25-23-34(29-48-43)46-50-44(31-16-8-4-9-17-31)49-45(51-46)32-18-10-5-11-19-32;1-46(33-19-9-4-10-20-33)38-23-13-11-21-34(38)36-27-37-35-22-12-14-24-40(35)51(41(37)28-39(36)46)42-26-25-32(29-47-42)45-49-43(30-15-5-2-6-16-30)48-44(50-45)31-17-7-3-8-18-31;2*1-4-12-28(13-5-1)31-20-22-33-35-23-24-36-34-18-10-11-19-38(34)50-41(36)40(35)49(37(33)26-31)39-25-21-32(27-45-39)44-47-42(29-14-6-2-7-15-29)46-43(48-44)30-16-8-3-9-17-30/h1-33H;3-29H,1-2H3;2-29H,1H3;2*1-27H
InChIKeyGDRPUDALWCWLFW-UHFFFAOYSA-N
XLogP56.10
TPSA295.59 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms259
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003337.00
LogP ≤ 556.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-diphenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-methyl-7-phenylindeno[2,1-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-diphenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-methyl-7-phenylindeno[2,1-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-diphenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-methyl-7-phenylindeno[2,1-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole (CID 164985891) is 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-diphenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-methyl-7-phenylindeno[2,1-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-diphenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-methyl-7-phenylindeno[2,1-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-diphenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-methyl-7-phenylindeno[2,1-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole is CC1(C)c2ccccc2-c2cc3c4ccc(-c5ccccc5)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)c3cc21.CC1(c2ccccc2)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)c3cc21.c1ccc(-c2ccc3c4ccc5c6ccccc6oc5c4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)c3c2)cc1.c1ccc(-c2ccc3c4ccc5c6ccccc6sc5c4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cn4)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)nc3)n2)cc1.
What is the InChIKey of 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-diphenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-methyl-7-phenylindeno[2,1-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is GDRPUDALWCWLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5.C47H33N5.C46H31N5.C44H27N5O.C44H27N5S/c1-5-17-34(18-6-1)48-53-49(35-19-7-2-8-20-35)55-50(54-48)36-29-30-47(52-33-36)56-45-28-16-14-26-40(45)42-31-41-39-25-13-15-27-43(39)51(44(41)32-46(42)56,37-21-9-3-10-22-37)38-23-11-4-12-24-38;1-47(2)39-21-13-12-20-35(39)37-27-38-36-24-22-33(30-14-6-3-7-15-30)26-41(36)52(42(38)28-40(37)47)43-25-23-34(29-48-43)46-50-44(31-16-8-4-9-17-31)49-45(51-46)32-18-10-5-11-19-32;1-46(33-19-9-4-10-20-33)38-23-13-11-21-34(38)36-27-37-35-22-12-14-24-40(35)51(41(37)28-39(36)46)42-26-25-32(29-47-42)45-49-43(30-15-5-2-6-16-30)48-44(50-45)31-17-7-3-8-18-31;2*1-4-12-28(13-5-1)31-20-22-33-35-23-24-36-34-18-10-11-19-38(34)50-41(36)40(35)49(37(33)26-31)39-25-21-32(27-45-39)44-47-42(29-14-6-2-7-15-29)46-43(48-44)30-16-8-3-9-17-30/h1-33H;3-29H,1-2H3;2-29H,1H3;2*1-27H.
What are the key properties of 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-diphenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-methyl-7-phenylindeno[2,1-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole?
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-diphenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-methyl-7-phenylindeno[2,1-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 3337.00 g/mol, XLogP of 56.10, 26 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7,7-diphenylindeno[2,1-b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-methyl-7-phenylindeno[2,1-b]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 164985891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).