7-dibenzothiophen-4-yl-2-methyl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,3-dihydrocarbazole

C64H44N4S — CID 166957809

About 7-dibenzothiophen-4-yl-2-methyl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,3-dihydrocarbazole

7-dibenzothiophen-4-yl-2-methyl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,3-dihydrocarbazole (PubChem CID 166957809) has the molecular formula C64H44N4S and a molecular weight of 901.15 g/mol. Its IUPAC name is 7-dibenzothiophen-4-yl-2-methyl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,3-dihydrocarbazole.

Molecular Properties

• Compound Name: 7-dibenzothiophen-4-yl-2-methyl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,3-dihydrocarbazole
• PubChem CID: 166957809
• Molecular Formula: C64H44N4S
• Molecular Weight: 901.15 g/mol
• Exact Mass: 900.33
• IUPAC Name: 7-dibenzothiophen-4-yl-2-methyl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,3-dihydrocarbazole
• SMILES: CC1C=c2c(c3ccc(-c4cccc5c4sc4ccccc45)cc3n2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)n3)c(-c3ccccc3)c2)=CC1
• InChI: InChI=1S/C64H44N4S/c1-41-30-33-52-53-34-31-48(51-27-15-28-55-54-26-11-12-29-60(54)69-61(51)55)39-59(53)68(58(52)36-41)50-32-35-56(57(40-50)43-18-7-3-8-19-43)64-66-62(44-20-9-4-10-21-44)65-63(67-64)49-25-14-24-47(38-49)46-23-13-22-45(37-46)42-16-5-2-6-17-42/h2-29,31-41H,30H2,1H3
• InChIKey: XUCROQKKRMHXEV-UHFFFAOYSA-N
• XLogP: 15.45
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	901.15
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-dibenzothiophen-4-yl-2-methyl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,3-dihydrocarbazole?

The IUPAC name of 7-dibenzothiophen-4-yl-2-methyl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,3-dihydrocarbazole (CID 166957809) is 7-dibenzothiophen-4-yl-2-methyl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,3-dihydrocarbazole.

What is the SMILES notation for 7-dibenzothiophen-4-yl-2-methyl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,3-dihydrocarbazole?

The canonical SMILES for 7-dibenzothiophen-4-yl-2-methyl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,3-dihydrocarbazole is CC1C=c2c(c3ccc(-c4cccc5c4sc4ccccc45)cc3n2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)n3)c(-c3ccccc3)c2)=CC1.

What is the InChIKey of 7-dibenzothiophen-4-yl-2-methyl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,3-dihydrocarbazole?

The InChIKey is XUCROQKKRMHXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N4S/c1-41-30-33-52-53-34-31-48(51-27-15-28-55-54-26-11-12-29-60(54)69-61(51)55)39-59(53)68(58(52)36-41)50-32-35-56(57(40-50)43-18-7-3-8-19-43)64-66-62(44-20-9-4-10-21-44)65-63(67-64)49-25-14-24-47(38-49)46-23-13-22-45(37-46)42-16-5-2-6-17-42/h2-29,31-41H,30H2,1H3.

What are the key properties of 7-dibenzothiophen-4-yl-2-methyl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,3-dihydrocarbazole?

7-dibenzothiophen-4-yl-2-methyl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,3-dihydrocarbazole has a molecular weight of 901.15 g/mol, XLogP of 15.45, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-dibenzothiophen-4-yl-2-methyl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2,3-dihydrocarbazole is sourced from PubChem (CID 166957809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).