9H-fluoren-9-ylmethyl N-[3-(1,2-diphenylindol-3-yl)-2,3-dihydroxypropyl]carbamate

C38H32N2O4 — CID 170835560

IUPAC9H-fluoren-9-ylmethyl N-[3-(1,2-diphenylindol-3-yl)-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C38H32N2O4/c41-34(23-39-38(43)44-24-32-29-19-9-7-17-27(29)28-18-8-10-20-30(28)32)37(42)35-31-21-11-12-22-33(31)40(26-15-5-2-6-16-26)36(35)25-13-3-1-4-14-25/h1-22,32,34,37,41-42H,23-24H2,(H,39,43)
InChIKeyFPCHDJVFNGJKKJ-UHFFFAOYSA-N
MW580.68 g/mol
LogP7.23
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[3-(1,2-diphenylindol-3-yl)-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(1,2-diphenylindol-3-yl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170835560) has the molecular formula C38H32N2O4 and a molecular weight of 580.68 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(1,2-diphenylindol-3-yl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(1,2-diphenylindol-3-yl)-2,3-dihydroxypropyl]carbamate
PubChem CID170835560
Molecular FormulaC38H32N2O4
Molecular Weight580.68 g/mol
Exact Mass580.24
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(1,2-diphenylindol-3-yl)-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C38H32N2O4/c41-34(23-39-38(43)44-24-32-29-19-9-7-17-27(29)28-18-8-10-20-30(28)32)37(42)35-31-21-11-12-22-33(31)40(26-15-5-2-6-16-26)36(35)25-13-3-1-4-14-25/h1-22,32,34,37,41-42H,23-24H2,(H,39,43)
InChIKeyFPCHDJVFNGJKKJ-UHFFFAOYSA-N
XLogP7.23
TPSA83.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.68
LogP ≤ 57.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2,6-dichlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833738
9H-fluoren-9-ylmethyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2,3-dihydroxypropyl]carbamate
CID 170835559
9H-fluoren-9-ylmethyl N-(2,3-dihydroxy-3-naphthalen-1-ylpropyl)carbamate
CID 170834360
9H-fluoren-9-ylmethyl N-[3-(2,6-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833730
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate
CID 170834973
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methylphenyl)propyl]carbamate
CID 170833599
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(4-hydroxyphenyl)phenyl]propyl]carbamate
CID 170835144
9H-fluoren-9-ylmethyl N-[3-(2-amino-6-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833889
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate
CID 170834333
5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2,4-dihydroxybenzoic acid
CID 170834708
9H-fluoren-9-ylmethyl N-[3-(2-hydrazinylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833835
9H-fluoren-9-ylmethyl N-[3-(2-amino-6-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833890

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(1,2-diphenylindol-3-yl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(1,2-diphenylindol-3-yl)-2,3-dihydroxypropyl]carbamate (CID 170835560) is 9H-fluoren-9-ylmethyl N-[3-(1,2-diphenylindol-3-yl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(1,2-diphenylindol-3-yl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(1,2-diphenylindol-3-yl)-2,3-dihydroxypropyl]carbamate is O=C(NCC(O)C(O)c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(1,2-diphenylindol-3-yl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is FPCHDJVFNGJKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2O4/c41-34(23-39-38(43)44-24-32-29-19-9-7-17-27(29)28-18-8-10-20-30(28)32)37(42)35-31-21-11-12-22-33(31)40(26-15-5-2-6-16-26)36(35)25-13-3-1-4-14-25/h1-22,32,34,37,41-42H,23-24H2,(H,39,43).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(1,2-diphenylindol-3-yl)-2,3-dihydroxypropyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(1,2-diphenylindol-3-yl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 580.68 g/mol, XLogP of 7.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(1,2-diphenylindol-3-yl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170835560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).