2-[8-[3-tert-butyl-5-[1-[6-[4-(4-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]anilino)phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline

C132H104N2O4 — CID 170300169

IUPAC2-[8-[3-tert-butyl-5-[1-[6-[4-(4-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]anilino)phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6c5oc5ccc(CC(C)(C)c7cc(-c8cccc9cccc(-c%10ccccc%10N(c%10ccc(-c%11ccc%12c(c%11)oc%11ccccc%11%12)cc%10)c%10ccc(-c%11cccc%12oc%13ccccc%13c%11%12)cc%10)c89)cc(C(C)(C)C)c7)cc56)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C132H104N2O4/c1-129(2,3)92-74-90(75-93(79-92)130(4,5)6)102-38-22-29-87-31-24-43-109(124(87)102)105-33-13-18-47-116(105)134(98-67-58-85(59-68-98)101-41-28-52-122-127(101)113-37-16-21-50-119(113)136-122)99-69-60-86(61-70-99)104-42-26-45-111-114-73-82(53-72-120(114)138-128(104)111)81-132(10,11)95-77-91(76-94(80-95)131(7,8)9)103-39-23-30-88-32-25-44-110(125(88)103)106-34-12-17-46-115(106)133(96-63-54-83(55-64-96)89-62-71-108-107-35-14-19-48-117(107)137-123(108)78-89)97-65-56-84(57-66-97)100-40-27-51-121-126(100)112-36-15-20-49-118(112)135-121/h12-80H,81H2,1-11H3
InChIKeyVGRYYQAXOYDKJW-UHFFFAOYSA-N
MW1782.29 g/mol
LogP38.28
Rot. Bonds17

About 2-[8-[3-tert-butyl-5-[1-[6-[4-(4-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]anilino)phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline

2-[8-[3-tert-butyl-5-[1-[6-[4-(4-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]anilino)phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline (PubChem CID 170300169) has the molecular formula C132H104N2O4 and a molecular weight of 1782.29 g/mol. Its IUPAC name is 2-[8-[3-tert-butyl-5-[1-[6-[4-(4-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]anilino)phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline.

Molecular Properties

Compound Name2-[8-[3-tert-butyl-5-[1-[6-[4-(4-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]anilino)phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline
PubChem CID170300169
Molecular FormulaC132H104N2O4
Molecular Weight1782.29 g/mol
Exact Mass1780.80
IUPAC Name2-[8-[3-tert-butyl-5-[1-[6-[4-(4-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]anilino)phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6c5oc5ccc(CC(C)(C)c7cc(-c8cccc9cccc(-c%10ccccc%10N(c%10ccc(-c%11ccc%12c(c%11)oc%11ccccc%11%12)cc%10)c%10ccc(-c%11cccc%12oc%13ccccc%13c%11%12)cc%10)c89)cc(C(C)(C)C)c7)cc56)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C132H104N2O4/c1-129(2,3)92-74-90(75-93(79-92)130(4,5)6)102-38-22-29-87-31-24-43-109(124(87)102)105-33-13-18-47-116(105)134(98-67-58-85(59-68-98)101-41-28-52-122-127(101)113-37-16-21-50-119(113)136-122)99-69-60-86(61-70-99)104-42-26-45-111-114-73-82(53-72-120(114)138-128(104)111)81-132(10,11)95-77-91(76-94(80-95)131(7,8)9)103-39-23-30-88-32-25-44-110(125(88)103)106-34-12-17-46-115(106)133(96-63-54-83(55-64-96)89-62-71-108-107-35-14-19-48-117(107)137-123(108)78-89)97-65-56-84(57-66-97)100-40-27-51-121-126(100)112-36-15-20-49-118(112)135-121/h12-80H,81H2,1-11H3
InChIKeyVGRYYQAXOYDKJW-UHFFFAOYSA-N
XLogP38.28
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001782.29
LogP ≤ 538.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[8-[3-tert-butyl-5-[1-[6-[4-(4-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]anilino)phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline with MolForge

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Related Compounds

3,5-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]aniline
CID 170296885
N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline
CID 170300046
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170300451
N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]naphthalen-1-amine
CID 170301767
N-(4-dibenzofuran-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170301769
N-(2-dibenzofuran-3-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
CID 170300185
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(3,5-ditert-butylphenyl)phenyl]dibenzofuran-2-amine
CID 170296496
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(4-phenanthren-1-ylphenyl)dibenzofuran-1-amine
CID 170301949
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 170296789
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)dibenzofuran-3-amine
CID 170301931
2-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenanthren-1-ylphenyl)aniline
CID 170301995
2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325117

Frequently Asked Questions

What is the IUPAC name of 2-[8-[3-tert-butyl-5-[1-[6-[4-(4-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]anilino)phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline?
The IUPAC name of 2-[8-[3-tert-butyl-5-[1-[6-[4-(4-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]anilino)phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline (CID 170300169) is 2-[8-[3-tert-butyl-5-[1-[6-[4-(4-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]anilino)phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline.
What is the SMILES notation for 2-[8-[3-tert-butyl-5-[1-[6-[4-(4-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]anilino)phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline?
The canonical SMILES for 2-[8-[3-tert-butyl-5-[1-[6-[4-(4-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]anilino)phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6c5oc5ccc(CC(C)(C)c7cc(-c8cccc9cccc(-c%10ccccc%10N(c%10ccc(-c%11ccc%12c(c%11)oc%11ccccc%11%12)cc%10)c%10ccc(-c%11cccc%12oc%13ccccc%13c%11%12)cc%10)c89)cc(C(C)(C)C)c7)cc56)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)c23)cc(C(C)(C)C)c1.
What is the InChIKey of 2-[8-[3-tert-butyl-5-[1-[6-[4-(4-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]anilino)phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline?
The InChIKey is VGRYYQAXOYDKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C132H104N2O4/c1-129(2,3)92-74-90(75-93(79-92)130(4,5)6)102-38-22-29-87-31-24-43-109(124(87)102)105-33-13-18-47-116(105)134(98-67-58-85(59-68-98)101-41-28-52-122-127(101)113-37-16-21-50-119(113)136-122)99-69-60-86(61-70-99)104-42-26-45-111-114-73-82(53-72-120(114)138-128(104)111)81-132(10,11)95-77-91(76-94(80-95)131(7,8)9)103-39-23-30-88-32-25-44-110(125(88)103)106-34-12-17-46-115(106)133(96-63-54-83(55-64-96)89-62-71-108-107-35-14-19-48-117(107)137-123(108)78-89)97-65-56-84(57-66-97)100-40-27-51-121-126(100)112-36-15-20-49-118(112)135-121/h12-80H,81H2,1-11H3.
What are the key properties of 2-[8-[3-tert-butyl-5-[1-[6-[4-(4-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]anilino)phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline?
2-[8-[3-tert-butyl-5-[1-[6-[4-(4-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]anilino)phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline has a molecular weight of 1782.29 g/mol, XLogP of 38.28, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[3-tert-butyl-5-[1-[6-[4-(4-dibenzofuran-1-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]anilino)phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]naphthalen-1-yl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)aniline is sourced from PubChem (CID 170300169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).