3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;9-phenyl-3-[9-(4-phenylpyrimidin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole

C137H91N13 — CID 161261122

About 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;9-phenyl-3-[9-(4-phenylpyrimidin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole

3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;9-phenyl-3-[9-(4-phenylpyrimidin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole (PubChem CID 161261122) has the molecular formula C137H91N13 and a molecular weight of 1919.33 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;9-phenyl-3-[9-(4-phenylpyrimidin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;9-phenyl-3-[9-(4-phenylpyrimidin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole
• PubChem CID: 161261122
• Molecular Formula: C137H91N13
• Molecular Weight: 1919.33 g/mol
• Exact Mass: 1917.75
• IUPAC Name: 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;9-phenyl-3-[9-(4-phenylpyrimidin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole
• SMILES: C1=Cc2c(n(-c3nccc(-c4ccccc4)n3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)CC1.c1ccc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)n2)cc1
• InChI: InChI=1S/C52H34N4.C45H29N5.C40H28N4/c1-3-12-35(13-4-1)36-22-24-37(25-23-36)38-14-11-15-41(32-38)47-30-31-53-52(54-47)56-49-21-10-8-19-44(49)46-34-40(27-29-51(46)56)39-26-28-50-45(33-39)43-18-7-9-20-48(43)55(50)42-16-5-2-6-17-42;1-3-13-30(14-4-1)43-46-44(31-15-5-2-6-16-31)48-45(47-43)32-23-25-33(26-24-32)49-41-22-12-9-19-37(41)38-29-34(27-28-42(38)49)50-39-20-10-7-17-35(39)36-18-8-11-21-40(36)50;1-3-11-27(12-4-1)35-23-24-41-40(42-35)44-37-18-10-8-16-32(37)34-26-29(20-22-39(34)44)28-19-21-38-33(25-28)31-15-7-9-17-36(31)43(38)30-13-5-2-6-14-30/h1-34H;1-29H;1-9,11-17,19-26H,10,18H2
• InChIKey: VCOGAPVVTDAXEM-UHFFFAOYSA-N
• XLogP: 34.22
• TPSA: 119.81 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1919.33
LogP ≤ 5	34.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;9-phenyl-3-[9-(4-phenylpyrimidin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole?

The IUPAC name of 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;9-phenyl-3-[9-(4-phenylpyrimidin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole (CID 161261122) is 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;9-phenyl-3-[9-(4-phenylpyrimidin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole.

What is the SMILES notation for 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;9-phenyl-3-[9-(4-phenylpyrimidin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole?

The canonical SMILES for 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;9-phenyl-3-[9-(4-phenylpyrimidin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole is C1=Cc2c(n(-c3nccc(-c4ccccc4)n3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)CC1.c1ccc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)n2)cc1.

What is the InChIKey of 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;9-phenyl-3-[9-(4-phenylpyrimidin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole?

The InChIKey is VCOGAPVVTDAXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4.C45H29N5.C40H28N4/c1-3-12-35(13-4-1)36-22-24-37(25-23-36)38-14-11-15-41(32-38)47-30-31-53-52(54-47)56-49-21-10-8-19-44(49)46-34-40(27-29-51(46)56)39-26-28-50-45(33-39)43-18-7-9-20-48(43)55(50)42-16-5-2-6-17-42;1-3-13-30(14-4-1)43-46-44(31-15-5-2-6-16-31)48-45(47-43)32-23-25-33(26-24-32)49-41-22-12-9-19-37(41)38-29-34(27-28-42(38)49)50-39-20-10-7-17-35(39)36-18-8-11-21-40(36)50;1-3-11-27(12-4-1)35-23-24-41-40(42-35)44-37-18-10-8-16-32(37)34-26-29(20-22-39(34)44)28-19-21-38-33(25-28)31-15-7-9-17-36(31)43(38)30-13-5-2-6-14-30/h1-34H;1-29H;1-9,11-17,19-26H,10,18H2.

What are the key properties of 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;9-phenyl-3-[9-(4-phenylpyrimidin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole?

3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;9-phenyl-3-[9-(4-phenylpyrimidin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole has a molecular weight of 1919.33 g/mol, XLogP of 34.22, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;9-phenyl-3-[9-(4-phenylpyrimidin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole is sourced from PubChem (CID 161261122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).