12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole

C66H53N5 — CID 167268040

About 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole

12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole (PubChem CID 167268040) has the molecular formula C66H53N5 and a molecular weight of 916.19 g/mol. Its IUPAC name is 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole
• PubChem CID: 167268040
• Molecular Formula: C66H53N5
• Molecular Weight: 916.19 g/mol
• Exact Mass: 915.43
• IUPAC Name: 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole
• SMILES: CC1CC(C)(C)c2cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccc(-c9ccccc9)cc8)nc(-c8ccc(-c9ccccc9)cc8)n7)c6c54)cc3)ccc2C1(C)C
• InChI: InChI=1S/C66H53N5/c1-42-41-65(2,3)57-40-50(34-39-56(57)66(42,4)5)47-32-35-51(36-33-47)70-58-22-14-12-20-52(58)54-37-38-55-53-21-13-15-23-59(53)71(61(55)60(54)70)64-68-62(48-28-24-45(25-29-48)43-16-8-6-9-17-43)67-63(69-64)49-30-26-46(27-31-49)44-18-10-7-11-19-44/h6-40,42H,41H2,1-5H3
• InChIKey: AQVKSZQTLKTZPL-UHFFFAOYSA-N
• XLogP: 17.00
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	916.19
LogP ≤ 5	17.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole?

The IUPAC name of 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole (CID 167268040) is 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole.

What is the SMILES notation for 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole?

The canonical SMILES for 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole is CC1CC(C)(C)c2cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccc(-c9ccccc9)cc8)nc(-c8ccc(-c9ccccc9)cc8)n7)c6c54)cc3)ccc2C1(C)C.

What is the InChIKey of 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole?

The InChIKey is AQVKSZQTLKTZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H53N5/c1-42-41-65(2,3)57-40-50(34-39-56(57)66(42,4)5)47-32-35-51(36-33-47)70-58-22-14-12-20-52(58)54-37-38-55-53-21-13-15-23-59(53)71(61(55)60(54)70)64-68-62(48-28-24-45(25-29-48)43-16-8-6-9-17-43)67-63(69-64)49-30-26-46(27-31-49)44-18-10-7-11-19-44/h6-40,42H,41H2,1-5H3.

What are the key properties of 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole?

12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole has a molecular weight of 916.19 g/mol, XLogP of 17.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 167268040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).