3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole

C153H96N16S — CID 161317954

IUPAC3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6c5c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)n2)cc1
InChIInChI=1S/C51H32N6.C51H31N5S.C51H33N5/c1-3-15-33(16-4-1)49-52-50(34-17-5-2-6-18-34)54-51(53-49)57-46-26-14-10-22-40(46)42-32-36(28-30-48(42)57)56-45-25-13-9-21-39(45)41-31-35(27-29-47(41)56)55-43-23-11-7-19-37(43)38-20-8-12-24-44(38)55;1-3-14-32(15-4-1)49-52-50(33-16-5-2-6-17-33)54-51(53-49)56-42-22-10-7-18-37(42)40-30-34(26-28-44(40)56)36-21-13-24-45-48(36)39-20-8-11-23-43(39)55(45)35-27-29-47-41(31-35)38-19-9-12-25-46(38)57-47;1-4-16-34(17-5-1)37-22-14-23-39(32-37)55-45-28-13-11-25-42(45)48-40(26-15-29-47(48)55)38-30-31-46-43(33-38)41-24-10-12-27-44(41)56(46)51-53-49(35-18-6-2-7-19-35)52-50(54-51)36-20-8-3-9-21-36/h1-32H;1-31H;1-33H
InChIKeyVJTCJUGAQYFUMG-UHFFFAOYSA-N
MW2190.63 g/mol
LogP38.67
Rot. Bonds16

About 3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole

3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 161317954) has the molecular formula C153H96N16S and a molecular weight of 2190.63 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
PubChem CID161317954
Molecular FormulaC153H96N16S
Molecular Weight2190.63 g/mol
Exact Mass2188.77
IUPAC Name3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6c5c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)n2)cc1
InChIInChI=1S/C51H32N6.C51H31N5S.C51H33N5/c1-3-15-33(16-4-1)49-52-50(34-17-5-2-6-18-34)54-51(53-49)57-46-26-14-10-22-40(46)42-32-36(28-30-48(42)57)56-45-25-13-9-21-39(45)41-31-35(27-29-47(41)56)55-43-23-11-7-19-37(43)38-20-8-12-24-44(38)55;1-3-14-32(15-4-1)49-52-50(33-16-5-2-6-17-33)54-51(53-49)56-42-22-10-7-18-37(42)40-30-34(26-28-44(40)56)36-21-13-24-45-48(36)39-20-8-11-23-43(39)55(45)35-27-29-47-41(31-35)38-19-9-12-25-46(38)57-47;1-4-16-34(17-5-1)37-22-14-23-39(32-37)55-45-28-13-11-25-42(45)48-40(26-15-29-47(48)55)38-30-31-46-43(33-38)41-24-10-12-27-44(41)56(46)51-53-49(35-18-6-2-7-19-35)52-50(54-51)36-20-8-3-9-21-36/h1-32H;1-31H;1-33H
InChIKeyVJTCJUGAQYFUMG-UHFFFAOYSA-N
XLogP38.67
TPSA150.52 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms170
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002190.63
LogP ≤ 538.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole (CID 161317954) is 3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6c5c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)n2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The InChIKey is VJTCJUGAQYFUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N6.C51H31N5S.C51H33N5/c1-3-15-33(16-4-1)49-52-50(34-17-5-2-6-18-34)54-51(53-49)57-46-26-14-10-22-40(46)42-32-36(28-30-48(42)57)56-45-25-13-9-21-39(45)41-31-35(27-29-47(41)56)55-43-23-11-7-19-37(43)38-20-8-12-24-44(38)55;1-3-14-32(15-4-1)49-52-50(33-16-5-2-6-17-33)54-51(53-49)56-42-22-10-7-18-37(42)40-30-34(26-28-44(40)56)36-21-13-24-45-48(36)39-20-8-11-23-43(39)55(45)35-27-29-47-41(31-35)38-19-9-12-25-46(38)57-47;1-4-16-34(17-5-1)37-22-14-23-39(32-37)55-45-28-13-11-25-42(45)48-40(26-15-29-47(48)55)38-30-31-46-43(33-38)41-24-10-12-27-44(41)56(46)51-53-49(35-18-6-2-7-19-35)52-50(54-51)36-20-8-3-9-21-36/h1-32H;1-31H;1-33H.
What are the key properties of 3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 2190.63 g/mol, XLogP of 38.67, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 161317954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).