9H-fluoren-9-ylmethyl N-[4-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]diselanyl]phenyl]carbamate

C42H32N2O4Se2 — CID 118729611

IUPAC9H-fluoren-9-ylmethyl N-[4-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]diselanyl]phenyl]carbamate
SMILESO=C(Nc1ccc([Se][Se]c2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C42H32N2O4Se2/c45-41(47-25-39-35-13-5-1-9-31(35)32-10-2-6-14-36(32)39)43-27-17-21-29(22-18-27)49-50-30-23-19-28(20-24-30)44-42(46)48-26-40-37-15-7-3-11-33(37)34-12-4-8-16-38(34)40/h1-24,39-40H,25-26H2,(H,43,45)(H,44,46)
InChIKeyWSKBUOUNLCYGPX-UHFFFAOYSA-N
MW786.65 g/mol
LogP7.68
Rot. Bonds9

About 9H-fluoren-9-ylmethyl N-[4-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]diselanyl]phenyl]carbamate

9H-fluoren-9-ylmethyl N-[4-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]diselanyl]phenyl]carbamate (PubChem CID 118729611) has the molecular formula C42H32N2O4Se2 and a molecular weight of 786.65 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]diselanyl]phenyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]diselanyl]phenyl]carbamate
PubChem CID118729611
Molecular FormulaC42H32N2O4Se2
Molecular Weight786.65 g/mol
Exact Mass788.07
IUPAC Name9H-fluoren-9-ylmethyl N-[4-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]diselanyl]phenyl]carbamate
SMILESO=C(Nc1ccc([Se][Se]c2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C42H32N2O4Se2/c45-41(47-25-39-35-13-5-1-9-31(35)32-10-2-6-14-36(32)39)43-27-17-21-29(22-18-27)49-50-30-23-19-28(20-24-30)44-42(46)48-26-40-37-15-7-3-11-33(37)34-12-4-8-16-38(34)40/h1-24,39-40H,25-26H2,(H,43,45)(H,44,46)
InChIKeyWSKBUOUNLCYGPX-UHFFFAOYSA-N
XLogP7.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.65
LogP ≤ 57.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]diselanyl]phenyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]diselanyl]phenyl]carbamate (CID 118729611) is 9H-fluoren-9-ylmethyl N-[4-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]diselanyl]phenyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]diselanyl]phenyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]diselanyl]phenyl]carbamate is O=C(Nc1ccc([Se][Se]c2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)cc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]diselanyl]phenyl]carbamate?
The InChIKey is WSKBUOUNLCYGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2O4Se2/c45-41(47-25-39-35-13-5-1-9-31(35)32-10-2-6-14-36(32)39)43-27-17-21-29(22-18-27)49-50-30-23-19-28(20-24-30)44-42(46)48-26-40-37-15-7-3-11-33(37)34-12-4-8-16-38(34)40/h1-24,39-40H,25-26H2,(H,43,45)(H,44,46).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]diselanyl]phenyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]diselanyl]phenyl]carbamate has a molecular weight of 786.65 g/mol, XLogP of 7.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[4-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]diselanyl]phenyl]carbamate is sourced from PubChem (CID 118729611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).