9-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-(3-triphenylen-2-ylphenyl)pyrimidin-2-yl]carbazole

C119H79N7S — CID 161255304

About 9-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-(3-triphenylen-2-ylphenyl)pyrimidin-2-yl]carbazole

9-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-(3-triphenylen-2-ylphenyl)pyrimidin-2-yl]carbazole (PubChem CID 161255304) has the molecular formula C119H79N7S and a molecular weight of 1639.06 g/mol. Its IUPAC name is 9-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-(3-triphenylen-2-ylphenyl)pyrimidin-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-(3-triphenylen-2-ylphenyl)pyrimidin-2-yl]carbazole
• PubChem CID: 161255304
• Molecular Formula: C119H79N7S
• Molecular Weight: 1639.06 g/mol
• Exact Mass: 1637.61
• IUPAC Name: 9-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-(3-triphenylen-2-ylphenyl)pyrimidin-2-yl]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4sc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)cc21.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccnc(-n3c4ccccc4c4ccccc43)n2)c1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)n2)cc1
• InChI: InChI=1S/C40H25N3.C40H27N3.C39H27NS/c1-2-14-31-29(12-1)30-13-3-4-15-32(30)36-25-27(20-21-33(31)36)26-10-9-11-28(24-26)37-22-23-41-40(42-37)43-38-18-7-5-16-34(38)35-17-6-8-19-39(35)43;1-3-11-30(12-4-1)36-27-37(31-13-5-2-6-14-31)42-40(41-36)32-21-19-28(20-22-32)29-23-25-33(26-24-29)43-38-17-9-7-15-34(38)35-16-8-10-18-39(35)43;1-39(2)33-12-6-3-9-27(33)28-18-15-25(22-34(28)39)24-16-19-37-31(21-24)32-23-26(17-20-38(32)41-37)40-35-13-7-4-10-29(35)30-11-5-8-14-36(30)40/h1-25H;1-27H;3-23H,1-2H3
• InChIKey: VBVHMGVLIPRNSC-UHFFFAOYSA-N
• XLogP: 31.73
• TPSA: 66.35 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1639.06
LogP ≤ 5	31.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-(3-triphenylen-2-ylphenyl)pyrimidin-2-yl]carbazole?

The IUPAC name of 9-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-(3-triphenylen-2-ylphenyl)pyrimidin-2-yl]carbazole (CID 161255304) is 9-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-(3-triphenylen-2-ylphenyl)pyrimidin-2-yl]carbazole.

What is the SMILES notation for 9-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-(3-triphenylen-2-ylphenyl)pyrimidin-2-yl]carbazole?

The canonical SMILES for 9-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-(3-triphenylen-2-ylphenyl)pyrimidin-2-yl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4sc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)cc21.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccnc(-n3c4ccccc4c4ccccc43)n2)c1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)n2)cc1.

What is the InChIKey of 9-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-(3-triphenylen-2-ylphenyl)pyrimidin-2-yl]carbazole?

The InChIKey is VBVHMGVLIPRNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3.C40H27N3.C39H27NS/c1-2-14-31-29(12-1)30-13-3-4-15-32(30)36-25-27(20-21-33(31)36)26-10-9-11-28(24-26)37-22-23-41-40(42-37)43-38-18-7-5-16-34(38)35-17-6-8-19-39(35)43;1-3-11-30(12-4-1)36-27-37(31-13-5-2-6-14-31)42-40(41-36)32-21-19-28(20-22-32)29-23-25-33(26-24-29)43-38-17-9-7-15-34(38)35-16-8-10-18-39(35)43;1-39(2)33-12-6-3-9-27(33)28-18-15-25(22-34(28)39)24-16-19-37-31(21-24)32-23-26(17-20-38(32)41-37)40-35-13-7-4-10-29(35)30-11-5-8-14-36(30)40/h1-25H;1-27H;3-23H,1-2H3.

What are the key properties of 9-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-(3-triphenylen-2-ylphenyl)pyrimidin-2-yl]carbazole?

9-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-(3-triphenylen-2-ylphenyl)pyrimidin-2-yl]carbazole has a molecular weight of 1639.06 g/mol, XLogP of 31.73, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-(3-triphenylen-2-ylphenyl)pyrimidin-2-yl]carbazole is sourced from PubChem (CID 161255304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).