9H-fluoren-9-ylmethyl N-[3-[2,4,6-tri(propan-2-yl)phenyl]prop-2-enyl]carbamate

C33H39NO2 — CID 169470557

IUPAC9H-fluoren-9-ylmethyl N-[3-[2,4,6-tri(propan-2-yl)phenyl]prop-2-enyl]carbamate
SMILESCC(C)c1cc(C(C)C)c(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c(C(C)C)c1
InChIInChI=1S/C33H39NO2/c1-21(2)24-18-30(22(3)4)29(31(19-24)23(5)6)16-11-17-34-33(35)36-20-32-27-14-9-7-12-25(27)26-13-8-10-15-28(26)32/h7-16,18-19,21-23,32H,17,20H2,1-6H3,(H,34,35)
InChIKeyICRPYJYCPMDPSQ-UHFFFAOYSA-N
MW481.68 g/mol
LogP8.61
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[3-[2,4,6-tri(propan-2-yl)phenyl]prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-[2,4,6-tri(propan-2-yl)phenyl]prop-2-enyl]carbamate (PubChem CID 169470557) has the molecular formula C33H39NO2 and a molecular weight of 481.68 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[2,4,6-tri(propan-2-yl)phenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-[2,4,6-tri(propan-2-yl)phenyl]prop-2-enyl]carbamate
PubChem CID169470557
Molecular FormulaC33H39NO2
Molecular Weight481.68 g/mol
Exact Mass481.30
IUPAC Name9H-fluoren-9-ylmethyl N-[3-[2,4,6-tri(propan-2-yl)phenyl]prop-2-enyl]carbamate
SMILESCC(C)c1cc(C(C)C)c(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c(C(C)C)c1
InChIInChI=1S/C33H39NO2/c1-21(2)24-18-30(22(3)4)29(31(19-24)23(5)6)16-11-17-34-33(35)36-20-32-27-14-9-7-12-25(27)26-13-8-10-15-28(26)32/h7-16,18-19,21-23,32H,17,20H2,1-6H3,(H,34,35)
InChIKeyICRPYJYCPMDPSQ-UHFFFAOYSA-N
XLogP8.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.68
LogP ≤ 58.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169469119
9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
CID 169469367
9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate
CID 169470944
9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469871
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-3,5-difluorobenzoic acid
CID 169470107
9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate
CID 169468944
9H-fluoren-9-ylmethyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate
CID 169470705
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enyl]carbamate
CID 169468972
9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate
CID 169469501
9H-fluoren-9-ylmethyl N-[3-(4-hydroxy-2-methylphenyl)prop-2-enyl]carbamate
CID 169469151
9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469085

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[2,4,6-tri(propan-2-yl)phenyl]prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[2,4,6-tri(propan-2-yl)phenyl]prop-2-enyl]carbamate (CID 169470557) is 9H-fluoren-9-ylmethyl N-[3-[2,4,6-tri(propan-2-yl)phenyl]prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[2,4,6-tri(propan-2-yl)phenyl]prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[2,4,6-tri(propan-2-yl)phenyl]prop-2-enyl]carbamate is CC(C)c1cc(C(C)C)c(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c(C(C)C)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[2,4,6-tri(propan-2-yl)phenyl]prop-2-enyl]carbamate?
The InChIKey is ICRPYJYCPMDPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39NO2/c1-21(2)24-18-30(22(3)4)29(31(19-24)23(5)6)16-11-17-34-33(35)36-20-32-27-14-9-7-12-25(27)26-13-8-10-15-28(26)32/h7-16,18-19,21-23,32H,17,20H2,1-6H3,(H,34,35).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[2,4,6-tri(propan-2-yl)phenyl]prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-[2,4,6-tri(propan-2-yl)phenyl]prop-2-enyl]carbamate has a molecular weight of 481.68 g/mol, XLogP of 8.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-[2,4,6-tri(propan-2-yl)phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169470557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).