5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole

C71H47N5 — CID 134447533

About 5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole

5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole (PubChem CID 134447533) has the molecular formula C71H47N5 and a molecular weight of 970.19 g/mol. Its IUPAC name is 5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole.

Molecular Properties

• Compound Name: 5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole
• PubChem CID: 134447533
• Molecular Formula: C71H47N5
• Molecular Weight: 970.19 g/mol
• Exact Mass: 969.38
• IUPAC Name: 5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole
• SMILES: C1=Cc2c(c3cc4c(cc3n2-c2nc(-c3ccccc3)nc(-n3c5ccccc5c5cc6c(cc53)C(c3ccccc3)(c3ccccc3)c3ccccc3-6)n2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)CC1
• InChI: InChI=1S/C71H47N5/c1-6-24-46(25-7-1)67-72-68(75-63-40-22-18-36-53(63)57-42-55-51-34-16-20-38-59(51)70(61(55)44-65(57)75,47-26-8-2-9-27-47)48-28-10-3-11-29-48)74-69(73-67)76-64-41-23-19-37-54(64)58-43-56-52-35-17-21-39-60(52)71(62(56)45-66(58)76,49-30-12-4-13-31-49)50-32-14-5-15-33-50/h1-18,20-36,38-45H,19,37H2
• InChIKey: VJGXLXSUFFNZHE-UHFFFAOYSA-N
• XLogP: 16.27
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	970.19
LogP ≤ 5	16.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole?

The IUPAC name of 5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole (CID 134447533) is 5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole.

What is the SMILES notation for 5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole?

The canonical SMILES for 5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole is C1=Cc2c(c3cc4c(cc3n2-c2nc(-c3ccccc3)nc(-n3c5ccccc5c5cc6c(cc53)C(c3ccccc3)(c3ccccc3)c3ccccc3-6)n2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)CC1.

What is the InChIKey of 5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole?

The InChIKey is VJGXLXSUFFNZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47N5/c1-6-24-46(25-7-1)67-72-68(75-63-40-22-18-36-53(63)57-42-55-51-34-16-20-38-59(51)70(61(55)44-65(57)75,47-26-8-2-9-27-47)48-28-10-3-11-29-48)74-69(73-67)76-64-41-23-19-37-54(64)58-43-56-52-35-17-21-39-60(52)71(62(56)45-66(58)76,49-30-12-4-13-31-49)50-32-14-5-15-33-50/h1-18,20-36,38-45H,19,37H2.

What are the key properties of 5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole?

5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole has a molecular weight of 970.19 g/mol, XLogP of 16.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole is sourced from PubChem (CID 134447533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).