2-methylhexan-2-yl [4-(N-[4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-[4-(2-methylhexan-2-yloxycarbonyloxymethyl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]methyl carbonate

C102H94N4O6 — CID 146213687

IUPAC2-methylhexan-2-yl [4-(N-[4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-[4-(2-methylhexan-2-yloxycarbonyloxymethyl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]methyl carbonate
SMILESCCCCC(C)(C)OC(=O)OCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccc(-c9ccc(N(c%10ccccc%10)c%10ccc(COC(=O)OC(C)(C)CCCC)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C102H94N4O6/c1-7-9-71-101(3,4)111-99(107)109-73-75-31-55-91(56-32-75)103(87-23-15-11-16-24-87)93-59-43-81(44-60-93)77-35-39-79(40-36-77)83-47-63-95(64-48-83)105(89-27-19-13-20-28-89)97-67-51-85(52-68-97)86-53-69-98(70-54-86)106(90-29-21-14-22-30-90)96-65-49-84(50-66-96)80-41-37-78(38-42-80)82-45-61-94(62-46-82)104(88-25-17-12-18-26-88)92-57-33-76(34-58-92)74-110-100(108)112-102(5,6)72-10-8-2/h11-70H,7-10,71-74H2,1-6H3
InChIKeyQCYKLJZOGKFLKV-UHFFFAOYSA-N
MW1471.90 g/mol
LogP29.14
Rot. Bonds29

About 2-methylhexan-2-yl [4-(N-[4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-[4-(2-methylhexan-2-yloxycarbonyloxymethyl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]methyl carbonate

2-methylhexan-2-yl [4-(N-[4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-[4-(2-methylhexan-2-yloxycarbonyloxymethyl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]methyl carbonate (PubChem CID 146213687) has the molecular formula C102H94N4O6 and a molecular weight of 1471.90 g/mol. Its IUPAC name is 2-methylhexan-2-yl [4-(N-[4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-[4-(2-methylhexan-2-yloxycarbonyloxymethyl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]methyl carbonate.

Molecular Properties

Compound Name2-methylhexan-2-yl [4-(N-[4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-[4-(2-methylhexan-2-yloxycarbonyloxymethyl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]methyl carbonate
PubChem CID146213687
Molecular FormulaC102H94N4O6
Molecular Weight1471.90 g/mol
Exact Mass1470.72
IUPAC Name2-methylhexan-2-yl [4-(N-[4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-[4-(2-methylhexan-2-yloxycarbonyloxymethyl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]methyl carbonate
SMILESCCCCC(C)(C)OC(=O)OCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccc(-c9ccc(N(c%10ccccc%10)c%10ccc(COC(=O)OC(C)(C)CCCC)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C102H94N4O6/c1-7-9-71-101(3,4)111-99(107)109-73-75-31-55-91(56-32-75)103(87-23-15-11-16-24-87)93-59-43-81(44-60-93)77-35-39-79(40-36-77)83-47-63-95(64-48-83)105(89-27-19-13-20-28-89)97-67-51-85(52-68-97)86-53-69-98(70-54-86)106(90-29-21-14-22-30-90)96-65-49-84(50-66-96)80-41-37-78(38-42-80)82-45-61-94(62-46-82)104(88-25-17-12-18-26-88)92-57-33-76(34-58-92)74-110-100(108)112-102(5,6)72-10-8-2/h11-70H,7-10,71-74H2,1-6H3
InChIKeyQCYKLJZOGKFLKV-UHFFFAOYSA-N
XLogP29.14
TPSA84.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds29
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001471.90
LogP ≤ 529.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-methylhexan-2-yl [4-(N-[4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-[4-(2-methylhexan-2-yloxycarbonyloxymethyl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]methyl carbonate with MolForge

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Related Compounds

2-methylhexan-2-yl 2-[2-[[4-(N-[4-[4-[4-[4-[2-[2-(2-methylhexan-2-yloxycarbonyloxy)ethoxy]ethoxymethyl]-N-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methoxy]ethoxy]ethyl carbonate
CID 153444197
2-methylhexan-2-yl [4-[4-[4-[4-[4-(2-methylhexan-2-yloxycarbonyloxymethyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-naphthalen-1-ylanilino]phenyl]methyl carbonate
CID 146213648
(4-bromophenyl)methyl 2-methylhexan-2-yl carbonate
CID 152845231
[4-[4-(N-[4-[4-(acetyloxymethyl)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]methyl acetate
CID 14669999
[4-[4-(2-methylprop-2-enoyloxymethyl)-N-(4-phenylphenyl)anilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832811
4-[[4-[3-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(2-methylhexan-2-yloxycarbonyloxy)butoxymethyl]anilino]phenyl]carbazol-9-yl]phenyl]methoxy]butyl 2-methylhexan-2-yl carbonate
CID 146213640
2-(2-methylnonan-2-yloxy)ethyl 3-[4-(N-[4-[4-[4-(4,4-dimethyl-3-oxononyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-4-phenylanilino)phenyl]propanoate
CID 89212523
[4-[4-(acetyloxymethyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]methyl acetate
CID 59801354
2-methylhexan-2-yloxymethylbenzene
CID 134222440
4-(methoxymethyl)-N-[4-[4-[4-(methoxymethyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 58607563
tert-butyl (4-methylphenyl)methyl carbonate
CID 25140703
3-O-benzyl 1-O-methyl 2,2-dibutylpropanedioate
CID 174832525

Frequently Asked Questions

What is the IUPAC name of 2-methylhexan-2-yl [4-(N-[4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-[4-(2-methylhexan-2-yloxycarbonyloxymethyl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]methyl carbonate?
The IUPAC name of 2-methylhexan-2-yl [4-(N-[4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-[4-(2-methylhexan-2-yloxycarbonyloxymethyl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]methyl carbonate (CID 146213687) is 2-methylhexan-2-yl [4-(N-[4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-[4-(2-methylhexan-2-yloxycarbonyloxymethyl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]methyl carbonate.
What is the SMILES notation for 2-methylhexan-2-yl [4-(N-[4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-[4-(2-methylhexan-2-yloxycarbonyloxymethyl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]methyl carbonate?
The canonical SMILES for 2-methylhexan-2-yl [4-(N-[4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-[4-(2-methylhexan-2-yloxycarbonyloxymethyl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]methyl carbonate is CCCCC(C)(C)OC(=O)OCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccc(-c9ccc(N(c%10ccccc%10)c%10ccc(COC(=O)OC(C)(C)CCCC)cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 2-methylhexan-2-yl [4-(N-[4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-[4-(2-methylhexan-2-yloxycarbonyloxymethyl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]methyl carbonate?
The InChIKey is QCYKLJZOGKFLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H94N4O6/c1-7-9-71-101(3,4)111-99(107)109-73-75-31-55-91(56-32-75)103(87-23-15-11-16-24-87)93-59-43-81(44-60-93)77-35-39-79(40-36-77)83-47-63-95(64-48-83)105(89-27-19-13-20-28-89)97-67-51-85(52-68-97)86-53-69-98(70-54-86)106(90-29-21-14-22-30-90)96-65-49-84(50-66-96)80-41-37-78(38-42-80)82-45-61-94(62-46-82)104(88-25-17-12-18-26-88)92-57-33-76(34-58-92)74-110-100(108)112-102(5,6)72-10-8-2/h11-70H,7-10,71-74H2,1-6H3.
What are the key properties of 2-methylhexan-2-yl [4-(N-[4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-[4-(2-methylhexan-2-yloxycarbonyloxymethyl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]methyl carbonate?
2-methylhexan-2-yl [4-(N-[4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-[4-(2-methylhexan-2-yloxycarbonyloxymethyl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]methyl carbonate has a molecular weight of 1471.90 g/mol, XLogP of 29.14, 29 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexan-2-yl [4-(N-[4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-[4-(2-methylhexan-2-yloxycarbonyloxymethyl)phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]methyl carbonate is sourced from PubChem (CID 146213687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).