N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-amine

C60H41N5S — CID 171727168

About N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-amine

N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-amine (PubChem CID 171727168) has the molecular formula C60H41N5S and a molecular weight of 864.09 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-amine
• PubChem CID: 171727168
• Molecular Formula: C60H41N5S
• Molecular Weight: 864.09 g/mol
• Exact Mass: 863.31
• IUPAC Name: N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)n3)c3cccc4sc5ccccc5c34)cc21
• InChI: InChI=1S/C60H41N5S/c1-60(2)49-26-12-9-21-43(49)44-36-35-42(37-50(44)60)65(52-28-16-30-54-55(52)47-23-11-14-29-53(47)66-54)59-62-57(40-33-31-39(32-34-40)38-17-5-3-6-18-38)61-58(63-59)48-25-15-24-46-45-22-10-13-27-51(45)64(56(46)48)41-19-7-4-8-20-41/h3-37H,1-2H3
• InChIKey: QGOPQVOIIIFQOS-UHFFFAOYSA-N
• XLogP: 16.11
• TPSA: 46.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	864.09
LogP ≤ 5	16.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-amine?

The IUPAC name of N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-amine (CID 171727168) is N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-amine.

What is the SMILES notation for N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-amine?

The canonical SMILES for N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)n3)c3cccc4sc5ccccc5c34)cc21.

What is the InChIKey of N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-amine?

The InChIKey is QGOPQVOIIIFQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N5S/c1-60(2)49-26-12-9-21-43(49)44-36-35-42(37-50(44)60)65(52-28-16-30-54-55(52)47-23-11-14-29-53(47)66-54)59-62-57(40-33-31-39(32-34-40)38-17-5-3-6-18-38)61-58(63-59)48-25-15-24-46-45-22-10-13-27-51(45)64(56(46)48)41-19-7-4-8-20-41/h3-37H,1-2H3.

What are the key properties of N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-amine?

N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 864.09 g/mol, XLogP of 16.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 171727168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).