N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-[4-[8-[3-[7-[4-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)anilino]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthen-3-yl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine

C128H86N2S2 — CID 126745975

About N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-[4-[8-[3-[7-[4-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)anilino]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthen-3-yl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine

N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-[4-[8-[3-[7-[4-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)anilino]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthen-3-yl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine (PubChem CID 126745975) has the molecular formula C128H86N2S2 and a molecular weight of 1716.24 g/mol. Its IUPAC name is N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-[4-[8-[3-[7-[4-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)anilino]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthen-3-yl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-[4-[8-[3-[7-[4-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)anilino]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthen-3-yl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
• PubChem CID: 126745975
• Molecular Formula: C128H86N2S2
• Molecular Weight: 1716.24 g/mol
• Exact Mass: 1714.62
• IUPAC Name: N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-[4-[8-[3-[7-[4-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)anilino]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthen-3-yl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
• SMILES: CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)c3ccc(-c4ccc5c6c(cccc46)-c4cc(-c6cccc(-c7ccc8c(c7)C(C)(C)c7cc(N(c9ccc(-c%10ccc(-c%11ccc%12sc%13ccccc%13c%12c%11)cc%10)cc9)c9ccc(-c%10ccccc%10)c%10ccccc9%10)ccc7-8)c6)ccc4-5)cc3)cc21
• InChI: InChI=1S/C128H86N2S2/c1-127(2)117-75-93(79-19-7-5-8-20-79)48-61-104(117)106-63-58-98(77-119(106)127)129(95-52-41-82(42-53-95)80-33-37-84(38-34-80)90-50-69-124-115(73-90)109-27-13-15-31-122(109)131-124)96-56-45-87(46-57-96)101-65-66-113-103-60-47-92(72-114(103)112-30-18-29-111(101)126(112)113)88-23-17-24-89(71-88)94-49-62-105-107-64-59-99(78-120(107)128(3,4)118(105)76-94)130(121-68-67-100(86-21-9-6-10-22-86)102-25-11-12-26-108(102)121)97-54-43-83(44-55-97)81-35-39-85(40-36-81)91-51-70-125-116(74-91)110-28-14-16-32-123(110)132-125/h5-78H,1-4H3
• InChIKey: JSICMIUVGJIBIG-UHFFFAOYSA-N
• XLogP: 36.93
• TPSA: 6.48 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1716.24
LogP ≤ 5	36.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-[4-[8-[3-[7-[4-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)anilino]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthen-3-yl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine?

The IUPAC name of N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-[4-[8-[3-[7-[4-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)anilino]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthen-3-yl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine (CID 126745975) is N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-[4-[8-[3-[7-[4-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)anilino]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthen-3-yl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine.

What is the SMILES notation for N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-[4-[8-[3-[7-[4-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)anilino]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthen-3-yl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine?

The canonical SMILES for N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-[4-[8-[3-[7-[4-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)anilino]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthen-3-yl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)c3ccc(-c4ccc5c6c(cccc46)-c4cc(-c6cccc(-c7ccc8c(c7)C(C)(C)c7cc(N(c9ccc(-c%10ccc(-c%11ccc%12sc%13ccccc%13c%12c%11)cc%10)cc9)c9ccc(-c%10ccccc%10)c%10ccccc9%10)ccc7-8)c6)ccc4-5)cc3)cc21.

What is the InChIKey of N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-[4-[8-[3-[7-[4-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)anilino]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthen-3-yl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine?

The InChIKey is JSICMIUVGJIBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H86N2S2/c1-127(2)117-75-93(79-19-7-5-8-20-79)48-61-104(117)106-63-58-98(77-119(106)127)129(95-52-41-82(42-53-95)80-33-37-84(38-34-80)90-50-69-124-115(73-90)109-27-13-15-31-122(109)131-124)96-56-45-87(46-57-96)101-65-66-113-103-60-47-92(72-114(103)112-30-18-29-111(101)126(112)113)88-23-17-24-89(71-88)94-49-62-105-107-64-59-99(78-120(107)128(3,4)118(105)76-94)130(121-68-67-100(86-21-9-6-10-22-86)102-25-11-12-26-108(102)121)97-54-43-83(44-55-97)81-35-39-85(40-36-81)91-51-70-125-116(74-91)110-28-14-16-32-123(110)132-125/h5-78H,1-4H3.

What are the key properties of N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-[4-[8-[3-[7-[4-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)anilino]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthen-3-yl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine?

N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-[4-[8-[3-[7-[4-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)anilino]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthen-3-yl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine has a molecular weight of 1716.24 g/mol, XLogP of 36.93, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-[4-[8-[3-[7-[4-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylnaphthalen-1-yl)anilino]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthen-3-yl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine is sourced from PubChem (CID 126745975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).