9H-fluoren-9-ylmethyl N-[1-[[1-[4-(hydroxymethyl)anilino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]amino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]carbamate

C74H75N5O7 — CID 20740627

IUPAC9H-fluoren-9-ylmethyl N-[1-[[1-[4-(hydroxymethyl)anilino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]amino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]carbamate
SMILESCOc1ccc(C(NCCCCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)NC(CCCCNC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)C(=O)Nc2ccc(CO)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C74H75N5O7/c1-84-61-45-39-58(40-46-61)73(54-23-7-3-8-24-54,55-25-9-4-10-26-55)75-49-21-19-35-68(70(81)77-60-43-37-53(51-80)38-44-60)78-71(82)69(79-72(83)86-52-67-65-33-17-15-31-63(65)64-32-16-18-34-66(64)67)36-20-22-50-76-74(56-27-11-5-12-28-56,57-29-13-6-14-30-57)59-41-47-62(85-2)48-42-59/h3-18,23-34,37-48,67-69,75-76,80H,19-22,35-36,49-52H2,1-2H3,(H,77,81)(H,78,82)(H,79,83)
InChIKeyMLOIRVCMAQMWGK-UHFFFAOYSA-N
MW1146.44 g/mol
LogP13.03
Rot. Bonds28

About 9H-fluoren-9-ylmethyl N-[1-[[1-[4-(hydroxymethyl)anilino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]amino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[1-[[1-[4-(hydroxymethyl)anilino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]amino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]carbamate (PubChem CID 20740627) has the molecular formula C74H75N5O7 and a molecular weight of 1146.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[1-[[1-[4-(hydroxymethyl)anilino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]amino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[1-[[1-[4-(hydroxymethyl)anilino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]amino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]carbamate
PubChem CID20740627
Molecular FormulaC74H75N5O7
Molecular Weight1146.44 g/mol
Exact Mass1145.57
IUPAC Name9H-fluoren-9-ylmethyl N-[1-[[1-[4-(hydroxymethyl)anilino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]amino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]carbamate
SMILESCOc1ccc(C(NCCCCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)NC(CCCCNC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)C(=O)Nc2ccc(CO)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C74H75N5O7/c1-84-61-45-39-58(40-46-61)73(54-23-7-3-8-24-54,55-25-9-4-10-26-55)75-49-21-19-35-68(70(81)77-60-43-37-53(51-80)38-44-60)78-71(82)69(79-72(83)86-52-67-65-33-17-15-31-63(65)64-32-16-18-34-66(64)67)36-20-22-50-76-74(56-27-11-5-12-28-56,57-29-13-6-14-30-57)59-41-47-62(85-2)48-42-59/h3-18,23-34,37-48,67-69,75-76,80H,19-22,35-36,49-52H2,1-2H3,(H,77,81)(H,78,82)(H,79,83)
InChIKeyMLOIRVCMAQMWGK-UHFFFAOYSA-N
XLogP13.03
TPSA159.28 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001146.44
LogP ≤ 513.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-ylmethyl N-[1-[[1-[4-(hydroxymethyl)anilino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]amino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[1-[[1-[4-(hydroxymethyl)anilino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]amino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[1-[[1-[4-(hydroxymethyl)anilino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]amino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]carbamate (CID 20740627) is 9H-fluoren-9-ylmethyl N-[1-[[1-[4-(hydroxymethyl)anilino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]amino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[1-[[1-[4-(hydroxymethyl)anilino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]amino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[1-[[1-[4-(hydroxymethyl)anilino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]amino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]carbamate is COc1ccc(C(NCCCCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)NC(CCCCNC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)C(=O)Nc2ccc(CO)cc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[1-[[1-[4-(hydroxymethyl)anilino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]amino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]carbamate?
The InChIKey is MLOIRVCMAQMWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H75N5O7/c1-84-61-45-39-58(40-46-61)73(54-23-7-3-8-24-54,55-25-9-4-10-26-55)75-49-21-19-35-68(70(81)77-60-43-37-53(51-80)38-44-60)78-71(82)69(79-72(83)86-52-67-65-33-17-15-31-63(65)64-32-16-18-34-66(64)67)36-20-22-50-76-74(56-27-11-5-12-28-56,57-29-13-6-14-30-57)59-41-47-62(85-2)48-42-59/h3-18,23-34,37-48,67-69,75-76,80H,19-22,35-36,49-52H2,1-2H3,(H,77,81)(H,78,82)(H,79,83).
What are the key properties of 9H-fluoren-9-ylmethyl N-[1-[[1-[4-(hydroxymethyl)anilino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]amino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[1-[[1-[4-(hydroxymethyl)anilino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]amino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]carbamate has a molecular weight of 1146.44 g/mol, XLogP of 13.03, 28 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[1-[[1-[4-(hydroxymethyl)anilino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]amino]-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-1-oxohexan-2-yl]carbamate is sourced from PubChem (CID 20740627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).