11-(1,1,2,2,3,3-hexamethylinden-5-yl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

C54H45N5 — CID 167268585

About 11-(1,1,2,2,3,3-hexamethylinden-5-yl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

11-(1,1,2,2,3,3-hexamethylinden-5-yl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 167268585) has the molecular formula C54H45N5 and a molecular weight of 763.99 g/mol. Its IUPAC name is 11-(1,1,2,2,3,3-hexamethylinden-5-yl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-(1,1,2,2,3,3-hexamethylinden-5-yl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• PubChem CID: 167268585
• Molecular Formula: C54H45N5
• Molecular Weight: 763.99 g/mol
• Exact Mass: 763.37
• IUPAC Name: 11-(1,1,2,2,3,3-hexamethylinden-5-yl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
• SMILES: CC1(C)c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5c43)cc2C(C)(C)C1(C)C
• InChI: InChI=1S/C54H45N5/c1-52(2)43-32-29-38(33-44(43)53(3,4)54(52,5)6)58-45-23-15-13-21-39(45)41-30-31-42-40-22-14-16-24-46(40)59(48(42)47(41)58)51-56-49(36-19-11-8-12-20-36)55-50(57-51)37-27-25-35(26-28-37)34-17-9-7-10-18-34/h7-33H,1-6H3
• InChIKey: LHASKAYUEFXEKY-UHFFFAOYSA-N
• XLogP: 13.66
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.99
LogP ≤ 5	13.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 11-(1,1,2,2,3,3-hexamethylinden-5-yl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The IUPAC name of 11-(1,1,2,2,3,3-hexamethylinden-5-yl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 167268585) is 11-(1,1,2,2,3,3-hexamethylinden-5-yl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

What is the SMILES notation for 11-(1,1,2,2,3,3-hexamethylinden-5-yl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The canonical SMILES for 11-(1,1,2,2,3,3-hexamethylinden-5-yl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is CC1(C)c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5c43)cc2C(C)(C)C1(C)C.

What is the InChIKey of 11-(1,1,2,2,3,3-hexamethylinden-5-yl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

The InChIKey is LHASKAYUEFXEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H45N5/c1-52(2)43-32-29-38(33-44(43)53(3,4)54(52,5)6)58-45-23-15-13-21-39(45)41-30-31-42-40-22-14-16-24-46(40)59(48(42)47(41)58)51-56-49(36-19-11-8-12-20-36)55-50(57-51)37-27-25-35(26-28-37)34-17-9-7-10-18-34/h7-33H,1-6H3.

What are the key properties of 11-(1,1,2,2,3,3-hexamethylinden-5-yl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?

11-(1,1,2,2,3,3-hexamethylinden-5-yl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 763.99 g/mol, XLogP of 13.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(1,1,2,2,3,3-hexamethylinden-5-yl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 167268585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).