2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]

C79H51N5 — CID 90335732

About 2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]

2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole] (PubChem CID 90335732) has the molecular formula C79H51N5 and a molecular weight of 1070.31 g/mol. Its IUPAC name is 2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole].

Molecular Properties

• Compound Name: 2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
• PubChem CID: 90335732
• Molecular Formula: C79H51N5
• Molecular Weight: 1070.31 g/mol
• Exact Mass: 1069.41
• IUPAC Name: 2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
• SMILES: CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)C5(c6ccccc6-c6ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc65)c5ccccc5-7)ccc4n(-c4ccccc4)c3cc21
• InChI: InChI=1S/C79H51N5/c1-78(2)65-32-18-15-30-56(65)59-44-63-61-41-50(36-39-71(61)83(73(63)46-68(59)78)53-25-11-5-12-26-53)51-37-40-72-62(42-51)64-45-60-57-31-17-20-34-67(57)79(70(60)47-74(64)84(72)54-27-13-6-14-28-54)66-33-19-16-29-55(66)58-38-35-52(43-69(58)79)77-81-75(48-21-7-3-8-22-48)80-76(82-77)49-23-9-4-10-24-49/h3-47H,1-2H3
• InChIKey: ABXZRQPWMLQWBV-UHFFFAOYSA-N
• XLogP: 19.38
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1070.31
LogP ≤ 5	19.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]?

The IUPAC name of 2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole] (CID 90335732) is 2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole].

What is the SMILES notation for 2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]?

The canonical SMILES for 2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole] is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)C5(c6ccccc6-c6ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc65)c5ccccc5-7)ccc4n(-c4ccccc4)c3cc21.

What is the InChIKey of 2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]?

The InChIKey is ABXZRQPWMLQWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H51N5/c1-78(2)65-32-18-15-30-56(65)59-44-63-61-41-50(36-39-71(61)83(73(63)46-68(59)78)53-25-11-5-12-26-53)51-37-40-72-62(42-51)64-45-60-57-31-17-20-34-67(57)79(70(60)47-74(64)84(72)54-27-13-6-14-28-54)66-33-19-16-29-55(66)58-38-35-52(43-69(58)79)77-81-75(48-21-7-3-8-22-48)80-76(82-77)49-23-9-4-10-24-49/h3-47H,1-2H3.

What are the key properties of 2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]?

2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole] has a molecular weight of 1070.31 g/mol, XLogP of 19.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole] is sourced from PubChem (CID 90335732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).