7-[6-[[2-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylnaphthalen-1-yl)anilino)-9-methylfluoren-9-yl]methyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

C115H78N2O4 — CID 163419245

About 7-[6-[[2-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylnaphthalen-1-yl)anilino)-9-methylfluoren-9-yl]methyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

7-[6-[[2-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylnaphthalen-1-yl)anilino)-9-methylfluoren-9-yl]methyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 163419245) has the molecular formula C115H78N2O4 and a molecular weight of 1551.90 g/mol. Its IUPAC name is 7-[6-[[2-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylnaphthalen-1-yl)anilino)-9-methylfluoren-9-yl]methyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

• Compound Name: 7-[6-[[2-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylnaphthalen-1-yl)anilino)-9-methylfluoren-9-yl]methyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
• PubChem CID: 163419245
• Molecular Formula: C115H78N2O4
• Molecular Weight: 1551.90 g/mol
• Exact Mass: 1550.60
• IUPAC Name: 7-[6-[[2-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylnaphthalen-1-yl)anilino)-9-methylfluoren-9-yl]methyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6oc7c(CC8(C)c9ccccc9-c9ccc(N(c%10ccc(-c%11ccc%12oc%13ccccc%13c%12c%11)cc%10)c%10ccc(-c%11cccc%12c%11oc%11ccccc%11%12)c%11ccccc%10%11)cc98)cccc7c6c5)ccc3-4)cc21
• InChI: InChI=1S/C115H78N2O4/c1-113(2)98-34-13-8-23-82(98)85-54-50-76(64-101(85)113)116(74-48-41-69(42-49-74)79-29-19-32-93-89-26-10-16-37-106(89)120-111(79)93)77-51-55-86-84-53-43-72(63-100(84)114(3,4)102(86)65-77)71-45-60-109-97(62-71)95-30-18-21-73(110(95)119-109)67-115(5)99-35-14-9-24-83(99)87-56-52-78(66-103(87)115)117(75-46-39-68(40-47-75)70-44-59-108-96(61-70)91-28-12-15-36-105(91)118-108)104-58-57-81(80-22-6-7-25-88(80)104)92-31-20-33-94-90-27-11-17-38-107(90)121-112(92)94/h6-66H,67H2,1-5H3
• InChIKey: AHAHVJRXCIIIHD-UHFFFAOYSA-N
• XLogP: 32.19
• TPSA: 59.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1551.90
LogP ≤ 5	32.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[6-[[2-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylnaphthalen-1-yl)anilino)-9-methylfluoren-9-yl]methyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?

The IUPAC name of 7-[6-[[2-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylnaphthalen-1-yl)anilino)-9-methylfluoren-9-yl]methyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (CID 163419245) is 7-[6-[[2-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylnaphthalen-1-yl)anilino)-9-methylfluoren-9-yl]methyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

What is the SMILES notation for 7-[6-[[2-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylnaphthalen-1-yl)anilino)-9-methylfluoren-9-yl]methyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?

The canonical SMILES for 7-[6-[[2-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylnaphthalen-1-yl)anilino)-9-methylfluoren-9-yl]methyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6oc7c(CC8(C)c9ccccc9-c9ccc(N(c%10ccc(-c%11ccc%12oc%13ccccc%13c%12c%11)cc%10)c%10ccc(-c%11cccc%12c%11oc%11ccccc%11%12)c%11ccccc%10%11)cc98)cccc7c6c5)ccc3-4)cc21.

What is the InChIKey of 7-[6-[[2-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylnaphthalen-1-yl)anilino)-9-methylfluoren-9-yl]methyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?

The InChIKey is AHAHVJRXCIIIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C115H78N2O4/c1-113(2)98-34-13-8-23-82(98)85-54-50-76(64-101(85)113)116(74-48-41-69(42-49-74)79-29-19-32-93-89-26-10-16-37-106(89)120-111(79)93)77-51-55-86-84-53-43-72(63-100(84)114(3,4)102(86)65-77)71-45-60-109-97(62-71)95-30-18-21-73(110(95)119-109)67-115(5)99-35-14-9-24-83(99)87-56-52-78(66-103(87)115)117(75-46-39-68(40-47-75)70-44-59-108-96(61-70)91-28-12-15-36-105(91)118-108)104-58-57-81(80-22-6-7-25-88(80)104)92-31-20-33-94-90-27-11-17-38-107(90)121-112(92)94/h6-66H,67H2,1-5H3.

What are the key properties of 7-[6-[[2-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylnaphthalen-1-yl)anilino)-9-methylfluoren-9-yl]methyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?

7-[6-[[2-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylnaphthalen-1-yl)anilino)-9-methylfluoren-9-yl]methyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 1551.90 g/mol, XLogP of 32.19, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6-[[2-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylnaphthalen-1-yl)anilino)-9-methylfluoren-9-yl]methyl]dibenzofuran-2-yl]-N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 163419245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).