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

C66H53N5 — CID 167269084

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

7-[3-[3-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole (PubChem CID 167269084) has the molecular formula C66H53N5 and a molecular weight of 916.19 g/mol. Its IUPAC name is 7-[3-[3-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 7-[3-[3-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
• PubChem CID: 167269084
• Molecular Formula: C66H53N5
• Molecular Weight: 916.19 g/mol
• Exact Mass: 915.43
• IUPAC Name: 7-[3-[3-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
• SMILES: CC1CC(C)(C)c2c(-c3cccc(-c4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9cccc(-c%10ccccc%10)c9)n8)c7cc65)c4)c3)cccc2C1(C)C
• InChI: InChI=1S/C66H53N5/c1-42-41-65(2,3)61-51(32-19-33-56(61)66(42,4)5)48-27-16-25-46(36-48)47-26-18-29-50(38-47)70-57-34-14-12-30-52(57)54-39-55-53-31-13-15-35-58(53)71(60(55)40-59(54)70)64-68-62(44-22-10-7-11-23-44)67-63(69-64)49-28-17-24-45(37-49)43-20-8-6-9-21-43/h6-40,42H,41H2,1-5H3
• InChIKey: SVANGBFBRADCFB-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 7-[3-[3-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole?

The IUPAC name of 7-[3-[3-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole (CID 167269084) is 7-[3-[3-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole.

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

The canonical SMILES for 7-[3-[3-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole is CC1CC(C)(C)c2c(-c3cccc(-c4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9cccc(-c%10ccccc%10)c9)n8)c7cc65)c4)c3)cccc2C1(C)C.

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

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

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

7-[3-[3-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]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 7-[3-[3-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole is sourced from PubChem (CID 167269084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).