9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate

C30H27NO4 — CID 170834973

IUPAC9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate
SMILESO=C(NCC(O)C(O)c1cccc(-c2ccccc2)c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H27NO4/c32-28(29(33)22-12-8-11-21(17-22)20-9-2-1-3-10-20)18-31-30(34)35-19-27-25-15-6-4-13-23(25)24-14-5-7-16-26(24)27/h1-17,27-29,32-33H,18-19H2,(H,31,34)
InChIKeyQXJUHWAAIZFBBS-UHFFFAOYSA-N
MW465.55 g/mol
LogP5.29
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate (PubChem CID 170834973) has the molecular formula C30H27NO4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate
PubChem CID170834973
Molecular FormulaC30H27NO4
Molecular Weight465.55 g/mol
Exact Mass465.19
IUPAC Name9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate
SMILESO=C(NCC(O)C(O)c1cccc(-c2ccccc2)c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H27NO4/c32-28(29(33)22-12-8-11-21(17-22)20-9-2-1-3-10-20)18-31-30(34)35-19-27-25-15-6-4-13-23(25)24-14-5-7-16-26(24)27/h1-17,27-29,32-33H,18-19H2,(H,31,34)
InChIKeyQXJUHWAAIZFBBS-UHFFFAOYSA-N
XLogP5.29
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(3,4-diaminophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833851
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(4-hydroxyphenyl)phenyl]propyl]carbamate
CID 170835144
9H-fluoren-9-ylmethyl N-[3-(3,4-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833755
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-isothiocyanatophenyl)propyl]carbamate
CID 170834186
methyl 2-[3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]acetate
CID 170834742
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833963
9H-fluoren-9-ylmethyl N-[3-(4-amino-3-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833941
9H-fluoren-9-ylmethyl N-[3-(3-chloro-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833770
2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-fluorophenyl]acetic acid
CID 170834715
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3,4,5-trifluorophenyl)propyl]carbamate
CID 170834000
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]carbamate
CID 170835123
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-iodophenyl)propyl]carbamate
CID 170835442

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate (CID 170834973) is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate is O=C(NCC(O)C(O)c1cccc(-c2ccccc2)c1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate?
The InChIKey is QXJUHWAAIZFBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO4/c32-28(29(33)22-12-8-11-21(17-22)20-9-2-1-3-10-20)18-31-30(34)35-19-27-25-15-6-4-13-23(25)24-14-5-7-16-26(24)27/h1-17,27-29,32-33H,18-19H2,(H,31,34).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate?
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate has a molecular weight of 465.55 g/mol, XLogP of 5.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate is sourced from PubChem (CID 170834973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).