3-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylcarbazole

C75H45N5S2 — CID 146280378

About 3-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylcarbazole

3-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylcarbazole (PubChem CID 146280378) has the molecular formula C75H45N5S2 and a molecular weight of 1080.35 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylcarbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylcarbazole
• PubChem CID: 146280378
• Molecular Formula: C75H45N5S2
• Molecular Weight: 1080.35 g/mol
• Exact Mass: 1079.31
• IUPAC Name: 3-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylcarbazole
• SMILES: c1ccc(-c2cc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4ccc5c(c4)sc4ccccc45)n3)cc(-c3ccccc3)c2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c(-c4ccccc4)cccc32)cc1
• InChI: InChI=1S/C75H45N5S2/c1-4-19-46(20-5-1)53-29-18-32-66-71(53)62-45-52(79-63-30-14-10-25-54(63)55-26-11-15-31-64(55)79)37-40-65(62)80(66)72-60(47-21-6-2-7-22-47)41-51(42-61(72)48-23-8-3-9-24-48)75-77-73(49-35-38-58-56-27-12-16-33-67(56)81-69(58)43-49)76-74(78-75)50-36-39-59-57-28-13-17-34-68(57)82-70(59)44-50/h1-45H
• InChIKey: ZCHRNXDQLMUDPW-UHFFFAOYSA-N
• XLogP: 20.80
• TPSA: 48.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1080.35
LogP ≤ 5	20.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylcarbazole?

The IUPAC name of 3-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylcarbazole (CID 146280378) is 3-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylcarbazole.

What is the SMILES notation for 3-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylcarbazole?

The canonical SMILES for 3-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylcarbazole is c1ccc(-c2cc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4ccc5c(c4)sc4ccccc45)n3)cc(-c3ccccc3)c2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c(-c4ccccc4)cccc32)cc1.

What is the InChIKey of 3-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylcarbazole?

The InChIKey is ZCHRNXDQLMUDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H45N5S2/c1-4-19-46(20-5-1)53-29-18-32-66-71(53)62-45-52(79-63-30-14-10-25-54(63)55-26-11-15-31-64(55)79)37-40-65(62)80(66)72-60(47-21-6-2-7-22-47)41-51(42-61(72)48-23-8-3-9-24-48)75-77-73(49-35-38-58-56-27-12-16-33-67(56)81-69(58)43-49)76-74(78-75)50-36-39-59-57-28-13-17-34-68(57)82-70(59)44-50/h1-45H.

What are the key properties of 3-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylcarbazole?

3-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylcarbazole has a molecular weight of 1080.35 g/mol, XLogP of 20.80, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylcarbazole is sourced from PubChem (CID 146280378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).