9-[4-(2,5-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine

C69H47N7 — CID 134236546

About 9-[4-(2,5-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine

9-[4-(2,5-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine (PubChem CID 134236546) has the molecular formula C69H47N7 and a molecular weight of 974.18 g/mol. Its IUPAC name is 9-[4-(2,5-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

• Compound Name: 9-[4-(2,5-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine
• PubChem CID: 134236546
• Molecular Formula: C69H47N7
• Molecular Weight: 974.18 g/mol
• Exact Mass: 973.39
• IUPAC Name: 9-[4-(2,5-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine
• SMILES: c1ccc(-c2ccc(-c3ccccc3)c(-c3nc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)nc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)n3)c2)cc1
• InChI: InChI=1S/C69H47N7/c1-7-23-48(24-8-1)50-39-42-57(49-25-9-2-10-26-49)62(45-50)67-70-68(75-63-37-21-19-35-58(63)60-46-55(40-43-65(60)75)73(51-27-11-3-12-28-51)52-29-13-4-14-30-52)72-69(71-67)76-64-38-22-20-36-59(64)61-47-56(41-44-66(61)76)74(53-31-15-5-16-32-53)54-33-17-6-18-34-54/h1-47H
• InChIKey: NLLNQECWKDNYCM-UHFFFAOYSA-N
• XLogP: 18.01
• TPSA: 55.01 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	974.18
LogP ≤ 5	18.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,5-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine?

The IUPAC name of 9-[4-(2,5-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine (CID 134236546) is 9-[4-(2,5-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine.

What is the SMILES notation for 9-[4-(2,5-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine?

The canonical SMILES for 9-[4-(2,5-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine is c1ccc(-c2ccc(-c3ccccc3)c(-c3nc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)nc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)n3)c2)cc1.

What is the InChIKey of 9-[4-(2,5-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine?

The InChIKey is NLLNQECWKDNYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N7/c1-7-23-48(24-8-1)50-39-42-57(49-25-9-2-10-26-49)62(45-50)67-70-68(75-63-37-21-19-35-58(63)60-46-55(40-43-65(60)75)73(51-27-11-3-12-28-51)52-29-13-4-14-30-52)72-69(71-67)76-64-38-22-20-36-59(64)61-47-56(41-44-66(61)76)74(53-31-15-5-16-32-53)54-33-17-6-18-34-54/h1-47H.

What are the key properties of 9-[4-(2,5-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine?

9-[4-(2,5-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 974.18 g/mol, XLogP of 18.01, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(2,5-diphenylphenyl)-6-[3-(N-phenylanilino)carbazol-9-yl]-1,3,5-triazin-2-yl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 134236546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).