2',7'-ditert-butyl-N-[2-[6-[4-[2-(2-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]-9-methylfluoren-9-yl]dibenzofuran-3-yl]phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C135H100N2O2 — CID 170139261

About 2',7'-ditert-butyl-N-[2-[6-[4-[2-(2-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]-9-methylfluoren-9-yl]dibenzofuran-3-yl]phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine

2',7'-ditert-butyl-N-[2-[6-[4-[2-(2-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]-9-methylfluoren-9-yl]dibenzofuran-3-yl]phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 170139261) has the molecular formula C135H100N2O2 and a molecular weight of 1782.30 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-[2-[6-[4-[2-(2-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]-9-methylfluoren-9-yl]dibenzofuran-3-yl]phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: 2',7'-ditert-butyl-N-[2-[6-[4-[2-(2-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]-9-methylfluoren-9-yl]dibenzofuran-3-yl]phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 170139261
• Molecular Formula: C135H100N2O2
• Molecular Weight: 1782.30 g/mol
• Exact Mass: 1780.78
• IUPAC Name: 2',7'-ditert-butyl-N-[2-[6-[4-[2-(2-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]-9-methylfluoren-9-yl]dibenzofuran-3-yl]phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
• SMILES: CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4-c4ccc5c(c4)oc4c(C6(C)c7ccccc7-c7c(-c8ccccc8N(c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)c8ccccc8-c8cccc9oc%10ccccc%10c89)cccc76)cccc45)c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)cc31)c1cc(C(C)(C)C)ccc1-2
• InChI: InChI=1S/C135H100N2O2/c1-130(2,3)86-69-74-93-94-75-70-87(131(4,5)6)80-116(94)135(115(93)79-86)111-58-28-17-44-92(111)96-77-72-89(82-118(96)135)136(120-63-30-21-45-97(120)101-51-34-59-112-126(101)105-48-18-25-55-108(105)132(112,7)8)119-62-29-20-42-90(119)83-68-73-100-104-54-36-61-114(129(104)139-125(100)78-83)133(9)109-56-26-19-49-106(109)127-102(52-35-60-113(127)133)98-46-22-31-64-121(98)137(122-65-32-23-47-99(122)103-53-37-67-124-128(103)107-50-24-33-66-123(107)138-124)88-71-76-95-91-43-16-27-57-110(91)134(117(95)81-88,84-38-12-10-13-39-84)85-40-14-11-15-41-85/h10-82H,1-9H3
• InChIKey: YWFIONONHSWRJO-UHFFFAOYSA-N
• XLogP: 36.04
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1782.30
LogP ≤ 5	36.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N-[2-[6-[4-[2-(2-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]-9-methylfluoren-9-yl]dibenzofuran-3-yl]phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of 2',7'-ditert-butyl-N-[2-[6-[4-[2-(2-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]-9-methylfluoren-9-yl]dibenzofuran-3-yl]phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 170139261) is 2',7'-ditert-butyl-N-[2-[6-[4-[2-(2-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]-9-methylfluoren-9-yl]dibenzofuran-3-yl]phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for 2',7'-ditert-butyl-N-[2-[6-[4-[2-(2-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]-9-methylfluoren-9-yl]dibenzofuran-3-yl]phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for 2',7'-ditert-butyl-N-[2-[6-[4-[2-(2-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]-9-methylfluoren-9-yl]dibenzofuran-3-yl]phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4-c4ccc5c(c4)oc4c(C6(C)c7ccccc7-c7c(-c8ccccc8N(c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)c8ccccc8-c8cccc9oc%10ccccc%10c89)cccc76)cccc45)c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)cc31)c1cc(C(C)(C)C)ccc1-2.

What is the InChIKey of 2',7'-ditert-butyl-N-[2-[6-[4-[2-(2-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]-9-methylfluoren-9-yl]dibenzofuran-3-yl]phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is YWFIONONHSWRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C135H100N2O2/c1-130(2,3)86-69-74-93-94-75-70-87(131(4,5)6)80-116(94)135(115(93)79-86)111-58-28-17-44-92(111)96-77-72-89(82-118(96)135)136(120-63-30-21-45-97(120)101-51-34-59-112-126(101)105-48-18-25-55-108(105)132(112,7)8)119-62-29-20-42-90(119)83-68-73-100-104-54-36-61-114(129(104)139-125(100)78-83)133(9)109-56-26-19-49-106(109)127-102(52-35-60-113(127)133)98-46-22-31-64-121(98)137(122-65-32-23-47-99(122)103-53-37-67-124-128(103)107-50-24-33-66-123(107)138-124)88-71-76-95-91-43-16-27-57-110(91)134(117(95)81-88,84-38-12-10-13-39-84)85-40-14-11-15-41-85/h10-82H,1-9H3.

What are the key properties of 2',7'-ditert-butyl-N-[2-[6-[4-[2-(2-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]-9-methylfluoren-9-yl]dibenzofuran-3-yl]phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?

2',7'-ditert-butyl-N-[2-[6-[4-[2-(2-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]-9-methylfluoren-9-yl]dibenzofuran-3-yl]phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 1782.30 g/mol, XLogP of 36.04, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2',7'-ditert-butyl-N-[2-[6-[4-[2-(2-dibenzofuran-1-yl-N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]-9-methylfluoren-9-yl]dibenzofuran-3-yl]phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 170139261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).