9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate

C28H24N2O2 — CID 11975088

IUPAC9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate
SMILESNc1cccc(-c2cccc(CNC(=O)OCC3c4ccccc4-c4ccccc43)c2)c1
InChIInChI=1S/C28H24N2O2/c29-22-10-6-9-21(16-22)20-8-5-7-19(15-20)17-30-28(31)32-18-27-25-13-3-1-11-23(25)24-12-2-4-14-26(24)27/h1-16,27H,17-18,29H2,(H,30,31)
InChIKeyIRFXNEAFCCRGQO-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.97
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate

9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate (PubChem CID 11975088) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate
PubChem CID11975088
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate
SMILESNc1cccc(-c2cccc(CNC(=O)OCC3c4ccccc4-c4ccccc43)c2)c1
InChIInChI=1S/C28H24N2O2/c29-22-10-6-9-21(16-22)20-8-5-7-19(15-20)17-30-28(31)32-18-27-25-13-3-1-11-23(25)24-12-2-4-14-26(24)27/h1-16,27H,17-18,29H2,(H,30,31)
InChIKeyIRFXNEAFCCRGQO-UHFFFAOYSA-N
XLogP5.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[[3-(4-formylphenyl)phenyl]methyl]carbamate
CID 87430743
5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid
CID 172639206
9H-fluoren-9-ylmethyl N-[[2-[3-(hydroxymethyl)phenyl]-5-methoxyphenyl]methyl]carbamate
CID 135353911
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate
CID 170834973
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methoxybenzoic acid
CID 136547452
benzylcarbamoyl 9H-fluoren-9-ylmethyl carbonate
CID 164606401
methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate
CID 24720878
2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 6921612
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-3-phenylpropanoic acid
CID 14259874
methyl 4-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoyl]benzoate
CID 102121065
3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 7005107

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate (CID 11975088) is 9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate is Nc1cccc(-c2cccc(CNC(=O)OCC3c4ccccc4-c4ccccc43)c2)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate?
The InChIKey is IRFXNEAFCCRGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2/c29-22-10-6-9-21(16-22)20-8-5-7-19(15-20)17-30-28(31)32-18-27-25-13-3-1-11-23(25)24-12-2-4-14-26(24)27/h1-16,27H,17-18,29H2,(H,30,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate?
9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate has a molecular weight of 420.51 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[[3-(3-aminophenyl)phenyl]methyl]carbamate is sourced from PubChem (CID 11975088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).