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

C75H45N5O2 — CID 146280367

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

3-carbazol-9-yl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole (PubChem CID 146280367) has the molecular formula C75H45N5O2 and a molecular weight of 1048.22 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole
• PubChem CID: 146280367
• Molecular Formula: C75H45N5O2
• Molecular Weight: 1048.22 g/mol
• Exact Mass: 1047.36
• IUPAC Name: 3-carbazol-9-yl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2-c2ccccc2)cc1
• InChI: InChI=1S/C75H45N5O2/c1-4-18-46(19-5-1)49-34-38-66-62(40-49)63-45-53(79-64-28-14-10-24-54(64)55-25-11-15-29-65(55)79)35-39-67(63)80(66)72-60(47-20-6-2-7-21-47)41-52(42-61(72)48-22-8-3-9-23-48)75-77-73(50-32-36-58-56-26-12-16-30-68(56)81-70(58)43-50)76-74(78-75)51-33-37-59-57-27-13-17-31-69(57)82-71(59)44-51/h1-45H
• InChIKey: VPLFQTIWJHYBSQ-UHFFFAOYSA-N
• XLogP: 19.87
• TPSA: 74.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1048.22
LogP ≤ 5	19.87
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(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole?

The IUPAC name of 3-carbazol-9-yl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole (CID 146280367) is 3-carbazol-9-yl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole.

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

The canonical SMILES for 3-carbazol-9-yl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2-c2ccccc2)cc1.

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

The InChIKey is VPLFQTIWJHYBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H45N5O2/c1-4-18-46(19-5-1)49-34-38-66-62(40-49)63-45-53(79-64-28-14-10-24-54(64)55-25-11-15-29-65(55)79)35-39-67(63)80(66)72-60(47-20-6-2-7-21-47)41-52(42-61(72)48-22-8-3-9-23-48)75-77-73(50-32-36-58-56-26-12-16-30-68(56)81-70(58)43-50)76-74(78-75)51-33-37-59-57-27-13-17-31-69(57)82-71(59)44-51/h1-45H.

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

3-carbazol-9-yl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole has a molecular weight of 1048.22 g/mol, XLogP of 19.87, 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(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole is sourced from PubChem (CID 146280367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).