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

C68H68N2O6 — CID 146213648

IUPAC2-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
SMILESCCCCC(C)(C)OC(=O)OCc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(COC(=O)OC(C)(C)CCCC)cc5)c5cccc6ccccc56)cc4)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C68H68N2O6/c1-7-9-45-67(3,4)75-65(71)73-47-49-25-37-57(38-26-49)69(63-23-15-19-55-17-11-13-21-61(55)63)59-41-33-53(34-42-59)51-29-31-52(32-30-51)54-35-43-60(44-36-54)70(64-24-16-20-56-18-12-14-22-62(56)64)58-39-27-50(28-40-58)48-74-66(72)76-68(5,6)46-10-8-2/h11-44H,7-10,45-48H2,1-6H3
InChIKeyHBCMXICGTYZBII-UHFFFAOYSA-N
MW1009.30 g/mol
LogP19.51
Rot. Bonds20

About 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

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 (PubChem CID 146213648) has the molecular formula C68H68N2O6 and a molecular weight of 1009.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID146213648
Molecular FormulaC68H68N2O6
Molecular Weight1009.30 g/mol
Exact Mass1008.51
IUPAC Name2-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
SMILESCCCCC(C)(C)OC(=O)OCc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(COC(=O)OC(C)(C)CCCC)cc5)c5cccc6ccccc56)cc4)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C68H68N2O6/c1-7-9-45-67(3,4)75-65(71)73-47-49-25-37-57(38-26-49)69(63-23-15-19-55-17-11-13-21-61(55)63)59-41-33-53(34-42-59)51-29-31-52(32-30-51)54-35-43-60(44-36-54)70(64-24-16-20-56-18-12-14-22-62(56)64)58-39-27-50(28-40-58)48-74-66(72)76-68(5,6)46-10-8-2/h11-44H,7-10,45-48H2,1-6H3
InChIKeyHBCMXICGTYZBII-UHFFFAOYSA-N
XLogP19.51
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.30
LogP ≤ 519.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 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
N-[4-[4-(4-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 147833739
N-[4-[4-(N-[4-(4-butylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 134376558
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431752
N-[4-[4-[4-[N-(4-tert-butylphenyl)-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[4-[N-naphthalen-1-yl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 159251897
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N-[4-[4-(N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 58713806
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCC(C)(C)OC(=O)OCc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(COC(=O)OC(C)(C)CCCC)cc5)c5cccc6ccccc56)cc4)cc3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is HBCMXICGTYZBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H68N2O6/c1-7-9-45-67(3,4)75-65(71)73-47-49-25-37-57(38-26-49)69(63-23-15-19-55-17-11-13-21-61(55)63)59-41-33-53(34-42-59)51-29-31-52(32-30-51)54-35-43-60(44-36-54)70(64-24-16-20-56-18-12-14-22-62(56)64)58-39-27-50(28-40-58)48-74-66(72)76-68(5,6)46-10-8-2/h11-44H,7-10,45-48H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 1009.30 g/mol, XLogP of 19.51, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146213648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).