3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-2-yl]-9-phenylcarbazole;5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole

C132H85N11S — CID 164954919

About 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-2-yl]-9-phenylcarbazole;5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole

3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-2-yl]-9-phenylcarbazole;5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 164954919) has the molecular formula C132H85N11S and a molecular weight of 1857.28 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-2-yl]-9-phenylcarbazole;5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-2-yl]-9-phenylcarbazole;5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
• PubChem CID: 164954919
• Molecular Formula: C132H85N11S
• Molecular Weight: 1857.28 g/mol
• Exact Mass: 1855.67
• IUPAC Name: 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-2-yl]-9-phenylcarbazole;5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(C3c4ccccc4-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1.c1ccc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)n4)c3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)n2)cc1
• InChI: InChI=1S/C47H31N3.C45H29N5.C40H25N3S/c1-4-14-31(15-5-1)42-30-43(32-16-6-2-7-17-32)49-47(48-42)46-39-22-11-10-20-36(39)37-26-24-33(29-41(37)46)34-25-27-45-40(28-34)38-21-12-13-23-44(38)50(45)35-18-8-3-9-19-35;1-3-14-30(15-4-1)43-46-44(31-16-5-2-6-17-31)48-45(47-43)32-18-13-19-33(28-32)49-41-25-12-9-22-37(41)38-29-34(26-27-42(38)49)50-39-23-10-7-20-35(39)36-21-8-11-24-40(36)50;1-2-9-26(10-3-1)27-17-19-28(20-18-27)29-11-8-12-30(25-29)34-23-24-41-40(42-34)43-35-15-6-4-14-33(35)38-36(43)22-21-32-31-13-5-7-16-37(31)44-39(32)38/h1-30,46H;1-29H;1-25H
• InChIKey: BAWOPNFUIREONY-UHFFFAOYSA-N
• XLogP: 33.74
• TPSA: 109.95 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1857.28
LogP ≤ 5	33.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-2-yl]-9-phenylcarbazole;5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole?

The IUPAC name of 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-2-yl]-9-phenylcarbazole;5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole (CID 164954919) is 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-2-yl]-9-phenylcarbazole;5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole.

What is the SMILES notation for 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-2-yl]-9-phenylcarbazole;5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole?

The canonical SMILES for 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-2-yl]-9-phenylcarbazole;5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(C3c4ccccc4-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1.c1ccc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)n4)c3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)n2)cc1.

What is the InChIKey of 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-2-yl]-9-phenylcarbazole;5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole?

The InChIKey is BAWOPNFUIREONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3.C45H29N5.C40H25N3S/c1-4-14-31(15-5-1)42-30-43(32-16-6-2-7-17-32)49-47(48-42)46-39-22-11-10-20-36(39)37-26-24-33(29-41(37)46)34-25-27-45-40(28-34)38-21-12-13-23-44(38)50(45)35-18-8-3-9-19-35;1-3-14-30(15-4-1)43-46-44(31-16-5-2-6-17-31)48-45(47-43)32-18-13-19-33(28-32)49-41-25-12-9-22-37(41)38-29-34(26-27-42(38)49)50-39-23-10-7-20-35(39)36-21-8-11-24-40(36)50;1-2-9-26(10-3-1)27-17-19-28(20-18-27)29-11-8-12-30(25-29)34-23-24-41-40(42-34)43-35-15-6-4-14-33(35)38-36(43)22-21-32-31-13-5-7-16-37(31)44-39(32)38/h1-30,46H;1-29H;1-25H.

What are the key properties of 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-2-yl]-9-phenylcarbazole;5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole?

3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-2-yl]-9-phenylcarbazole;5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 1857.28 g/mol, XLogP of 33.74, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)-9H-fluoren-2-yl]-9-phenylcarbazole;5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 164954919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).