2-(9,9-dimethylfluoren-4-yl)-N-[4-[4'-[6-[4-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-methyl-9-phenylfluoren-3-yl)anilino]phenyl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

C133H94N2 — CID 170136312

About 2-(9,9-dimethylfluoren-4-yl)-N-[4-[4'-[6-[4-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-methyl-9-phenylfluoren-3-yl)anilino]phenyl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

2-(9,9-dimethylfluoren-4-yl)-N-[4-[4'-[6-[4-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-methyl-9-phenylfluoren-3-yl)anilino]phenyl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 170136312) has the molecular formula C133H94N2 and a molecular weight of 1720.23 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-4-yl)-N-[4-[4'-[6-[4-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-methyl-9-phenylfluoren-3-yl)anilino]phenyl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 2-(9,9-dimethylfluoren-4-yl)-N-[4-[4'-[6-[4-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-methyl-9-phenylfluoren-3-yl)anilino]phenyl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
• PubChem CID: 170136312
• Molecular Formula: C133H94N2
• Molecular Weight: 1720.23 g/mol
• Exact Mass: 1718.74
• IUPAC Name: 2-(9,9-dimethylfluoren-4-yl)-N-[4-[4'-[6-[4-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-methyl-9-phenylfluoren-3-yl)anilino]phenyl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
• SMILES: CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5c(-c6ccc7cc(-c8ccc(N(c9ccc(-c%10ccc%11c(c%10)-c%10ccccc%10C%11(C)c%10ccccc%10)cc9)c9ccccc9-c9cccc%10c9-c9ccccc9C%10(C)C)cc8)ccc7c6)cccc54)cc3)cccc21
• InChI: InChI=1S/C133H94N2/c1-130(2)115-43-19-14-37-110(115)128-108(41-27-48-122(128)130)106-35-17-24-51-125(106)134(99-71-61-88(62-72-99)87-55-53-86(54-56-87)85-29-8-6-9-30-85)101-77-67-91(68-78-101)96-70-80-121-114(84-96)105-34-13-22-46-119(105)133(121)120-47-23-16-39-112(120)127-103(40-26-50-124(127)133)97-60-59-93-81-92(57-58-94(93)82-97)89-63-73-100(74-64-89)135(126-52-25-18-36-107(126)109-42-28-49-123-129(109)111-38-15-20-44-116(111)131(123,3)4)102-75-65-90(66-76-102)95-69-79-118-113(83-95)104-33-12-21-45-117(104)132(118,5)98-31-10-7-11-32-98/h6-84H,1-5H3
• InChIKey: UQHBKJZQKMOCGD-UHFFFAOYSA-N
• XLogP: 35.41
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 15
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1720.23
LogP ≤ 5	35.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-N-[4-[4'-[6-[4-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-methyl-9-phenylfluoren-3-yl)anilino]phenyl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?

The IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-N-[4-[4'-[6-[4-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-methyl-9-phenylfluoren-3-yl)anilino]phenyl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (CID 170136312) is 2-(9,9-dimethylfluoren-4-yl)-N-[4-[4'-[6-[4-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-methyl-9-phenylfluoren-3-yl)anilino]phenyl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.

What is the SMILES notation for 2-(9,9-dimethylfluoren-4-yl)-N-[4-[4'-[6-[4-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-methyl-9-phenylfluoren-3-yl)anilino]phenyl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?

The canonical SMILES for 2-(9,9-dimethylfluoren-4-yl)-N-[4-[4'-[6-[4-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-methyl-9-phenylfluoren-3-yl)anilino]phenyl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5c(-c6ccc7cc(-c8ccc(N(c9ccc(-c%10ccc%11c(c%10)-c%10ccccc%10C%11(C)c%10ccccc%10)cc9)c9ccccc9-c9cccc%10c9-c9ccccc9C%10(C)C)cc8)ccc7c6)cccc54)cc3)cccc21.

What is the InChIKey of 2-(9,9-dimethylfluoren-4-yl)-N-[4-[4'-[6-[4-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-methyl-9-phenylfluoren-3-yl)anilino]phenyl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?

The InChIKey is UQHBKJZQKMOCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C133H94N2/c1-130(2)115-43-19-14-37-110(115)128-108(41-27-48-122(128)130)106-35-17-24-51-125(106)134(99-71-61-88(62-72-99)87-55-53-86(54-56-87)85-29-8-6-9-30-85)101-77-67-91(68-78-101)96-70-80-121-114(84-96)105-34-13-22-46-119(105)133(121)120-47-23-16-39-112(120)127-103(40-26-50-124(127)133)97-60-59-93-81-92(57-58-94(93)82-97)89-63-73-100(74-64-89)135(126-52-25-18-36-107(126)109-42-28-49-123-129(109)111-38-15-20-44-116(111)131(123,3)4)102-75-65-90(66-76-102)95-69-79-118-113(83-95)104-33-12-21-45-117(104)132(118,5)98-31-10-7-11-32-98/h6-84H,1-5H3.

What are the key properties of 2-(9,9-dimethylfluoren-4-yl)-N-[4-[4'-[6-[4-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-methyl-9-phenylfluoren-3-yl)anilino]phenyl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?

2-(9,9-dimethylfluoren-4-yl)-N-[4-[4'-[6-[4-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-methyl-9-phenylfluoren-3-yl)anilino]phenyl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 1720.23 g/mol, XLogP of 35.41, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-dimethylfluoren-4-yl)-N-[4-[4'-[6-[4-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-methyl-9-phenylfluoren-3-yl)anilino]phenyl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170136312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).