3-[9-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole

C186H122N12 — CID 160750257

About 3-[9-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole

3-[9-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole (PubChem CID 160750257) has the molecular formula C186H122N12 and a molecular weight of 2525.11 g/mol. Its IUPAC name is 3-[9-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[9-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole
• PubChem CID: 160750257
• Molecular Formula: C186H122N12
• Molecular Weight: 2525.11 g/mol
• Exact Mass: 2522.99
• IUPAC Name: 3-[9-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole
• SMILES: c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)ccc54)c3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2n3-c2ccccc2)cc1
• InChI: InChI=1S/C71H47N3.C58H38N4.C57H37N5/c1-6-16-48(17-7-1)52-26-28-54(29-27-52)60-46-66(55-32-30-53(31-33-55)49-18-8-2-9-19-49)72-71(47-60)74-69-40-35-57(51-22-12-4-13-23-51)43-64(69)65-45-59(37-41-70(65)74)58-36-39-68-63(44-58)62-42-56(50-20-10-3-11-21-50)34-38-67(62)73(68)61-24-14-5-15-25-61;1-6-16-39(17-7-1)43-26-30-54-48(34-43)49-36-45(28-31-55(49)61(54)47-24-14-5-15-25-47)46-29-33-57-51(37-46)50-35-44(40-18-8-2-9-19-40)27-32-56(50)62(57)58-59-52(41-20-10-3-11-21-41)38-53(60-58)42-22-12-4-13-23-42;1-6-16-38(17-7-1)42-26-30-51-47(34-42)48-36-44(28-31-52(48)61(51)46-24-14-5-15-25-46)45-29-33-54-50(37-45)49-35-43(39-18-8-2-9-19-39)27-32-53(49)62(54)57-59-55(40-20-10-3-11-21-40)58-56(60-57)41-22-12-4-13-23-41/h1-47H;1-38H;1-37H
• InChIKey: RWSKRQVQAJZKFF-UHFFFAOYSA-N
• XLogP: 48.35
• TPSA: 106.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 23
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2525.11
LogP ≤ 5	48.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole?

The IUPAC name of 3-[9-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole (CID 160750257) is 3-[9-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole.

What is the SMILES notation for 3-[9-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole?

The canonical SMILES for 3-[9-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)ccc54)c3)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2n3-c2ccccc2)cc1.

What is the InChIKey of 3-[9-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole?

The InChIKey is RWSKRQVQAJZKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47N3.C58H38N4.C57H37N5/c1-6-16-48(17-7-1)52-26-28-54(29-27-52)60-46-66(55-32-30-53(31-33-55)49-18-8-2-9-19-49)72-71(47-60)74-69-40-35-57(51-22-12-4-13-23-51)43-64(69)65-45-59(37-41-70(65)74)58-36-39-68-63(44-58)62-42-56(50-20-10-3-11-21-50)34-38-67(62)73(68)61-24-14-5-15-25-61;1-6-16-39(17-7-1)43-26-30-54-48(34-43)49-36-45(28-31-55(49)61(54)47-24-14-5-15-25-47)46-29-33-57-51(37-46)50-35-44(40-18-8-2-9-19-40)27-32-56(50)62(57)58-59-52(41-20-10-3-11-21-41)38-53(60-58)42-22-12-4-13-23-42;1-6-16-38(17-7-1)42-26-30-51-47(34-42)48-36-44(28-31-52(48)61(51)46-24-14-5-15-25-46)45-29-33-54-50(37-45)49-35-43(39-18-8-2-9-19-39)27-32-53(49)62(54)57-59-55(40-20-10-3-11-21-40)58-56(60-57)41-22-12-4-13-23-41/h1-47H;1-38H;1-37H.

What are the key properties of 3-[9-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole?

3-[9-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole has a molecular weight of 2525.11 g/mol, XLogP of 48.35, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole is sourced from PubChem (CID 160750257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).