bis(4-methylphenyl)methanol;9H-fluoren-9-ylmethyl N-[bis(4-methylphenyl)methyl]carbamate

C45H43NO3 — CID 158360660

IUPACbis(4-methylphenyl)methanol;9H-fluoren-9-ylmethyl N-[bis(4-methylphenyl)methyl]carbamate
SMILESCc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(C)cc2)cc1.Cc1ccc(C(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H27NO2.C15H16O/c1-20-11-15-22(16-12-20)29(23-17-13-21(2)14-18-23)31-30(32)33-19-28-26-9-5-3-7-24(26)25-8-4-6-10-27(25)28;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-18,28-29H,19H2,1-2H3,(H,31,32);3-10,15-16H,1-2H3
InChIKeyGTKUSBQOOOVCCS-UHFFFAOYSA-N
MW645.84 g/mol
LogP10.32
Rot. Bonds7

About bis(4-methylphenyl)methanol;9H-fluoren-9-ylmethyl N-[bis(4-methylphenyl)methyl]carbamate

bis(4-methylphenyl)methanol;9H-fluoren-9-ylmethyl N-[bis(4-methylphenyl)methyl]carbamate (PubChem CID 158360660) has the molecular formula C45H43NO3 and a molecular weight of 645.84 g/mol. Its IUPAC name is bis(4-methylphenyl)methanol;9H-fluoren-9-ylmethyl N-[bis(4-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Namebis(4-methylphenyl)methanol;9H-fluoren-9-ylmethyl N-[bis(4-methylphenyl)methyl]carbamate
PubChem CID158360660
Molecular FormulaC45H43NO3
Molecular Weight645.84 g/mol
Exact Mass645.32
IUPAC Namebis(4-methylphenyl)methanol;9H-fluoren-9-ylmethyl N-[bis(4-methylphenyl)methyl]carbamate
SMILESCc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(C)cc2)cc1.Cc1ccc(C(O)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H27NO2.C15H16O/c1-20-11-15-22(16-12-20)29(23-17-13-21(2)14-18-23)31-30(32)33-19-28-26-9-5-3-7-24(26)25-8-4-6-10-27(25)28;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-18,28-29H,19H2,1-2H3,(H,31,32);3-10,15-16H,1-2H3
InChIKeyGTKUSBQOOOVCCS-UHFFFAOYSA-N
XLogP10.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.84
LogP ≤ 510.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-methylphenyl)butyl]carbamate
CID 171886058
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
9H-fluoren-9-ylmethyl N-[(2S)-1-(4-methylphenyl)-3-oxobutan-2-yl]carbamate
CID 118944728
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
bis(4-methylphenyl)methyl (2S)-5-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate
CID 51341183
ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate
CID 50917501
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(4-methylphenyl)phenyl]propanoic acid
CID 170882616
bis(4-methylphenyl)methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxypropanoate
CID 51341199
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate
CID 57368211
dimethyl (2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanedioate
CID 23651066

Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenyl)methanol;9H-fluoren-9-ylmethyl N-[bis(4-methylphenyl)methyl]carbamate?
The IUPAC name of bis(4-methylphenyl)methanol;9H-fluoren-9-ylmethyl N-[bis(4-methylphenyl)methyl]carbamate (CID 158360660) is bis(4-methylphenyl)methanol;9H-fluoren-9-ylmethyl N-[bis(4-methylphenyl)methyl]carbamate.
What is the SMILES notation for bis(4-methylphenyl)methanol;9H-fluoren-9-ylmethyl N-[bis(4-methylphenyl)methyl]carbamate?
The canonical SMILES for bis(4-methylphenyl)methanol;9H-fluoren-9-ylmethyl N-[bis(4-methylphenyl)methyl]carbamate is Cc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(C)cc2)cc1.Cc1ccc(C(O)c2ccc(C)cc2)cc1.
What is the InChIKey of bis(4-methylphenyl)methanol;9H-fluoren-9-ylmethyl N-[bis(4-methylphenyl)methyl]carbamate?
The InChIKey is GTKUSBQOOOVCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO2.C15H16O/c1-20-11-15-22(16-12-20)29(23-17-13-21(2)14-18-23)31-30(32)33-19-28-26-9-5-3-7-24(26)25-8-4-6-10-27(25)28;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-18,28-29H,19H2,1-2H3,(H,31,32);3-10,15-16H,1-2H3.
What are the key properties of bis(4-methylphenyl)methanol;9H-fluoren-9-ylmethyl N-[bis(4-methylphenyl)methyl]carbamate?
bis(4-methylphenyl)methanol;9H-fluoren-9-ylmethyl N-[bis(4-methylphenyl)methyl]carbamate has a molecular weight of 645.84 g/mol, XLogP of 10.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl)methanol;9H-fluoren-9-ylmethyl N-[bis(4-methylphenyl)methyl]carbamate is sourced from PubChem (CID 158360660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).