1-(7-bromo-9H-fluoren-2-yl)-3-naphthalen-1-ylthiourea

C24H17BrN2S — CID 24797818

IUPAC1-(7-bromo-9H-fluoren-2-yl)-3-naphthalen-1-ylthiourea
SMILESS=C(Nc1ccc2c(c1)Cc1cc(Br)ccc1-2)Nc1cccc2ccccc12
InChIInChI=1S/C24H17BrN2S/c25-18-8-10-20-16(13-18)12-17-14-19(9-11-21(17)20)26-24(28)27-23-7-3-5-15-4-1-2-6-22(15)23/h1-11,13-14H,12H2,(H2,26,27,28)
InChIKeyXRRPNLRPEPTESH-UHFFFAOYSA-N
MW445.39 g/mol
LogP6.98
Rot. Bonds2

About 1-(7-bromo-9H-fluoren-2-yl)-3-naphthalen-1-ylthiourea

1-(7-bromo-9H-fluoren-2-yl)-3-naphthalen-1-ylthiourea (PubChem CID 24797818) has the molecular formula C24H17BrN2S and a molecular weight of 445.39 g/mol. Its IUPAC name is 1-(7-bromo-9H-fluoren-2-yl)-3-naphthalen-1-ylthiourea.

Molecular Properties

Compound Name1-(7-bromo-9H-fluoren-2-yl)-3-naphthalen-1-ylthiourea
PubChem CID24797818
Molecular FormulaC24H17BrN2S
Molecular Weight445.39 g/mol
Exact Mass444.03
IUPAC Name1-(7-bromo-9H-fluoren-2-yl)-3-naphthalen-1-ylthiourea
SMILESS=C(Nc1ccc2c(c1)Cc1cc(Br)ccc1-2)Nc1cccc2ccccc12
InChIInChI=1S/C24H17BrN2S/c25-18-8-10-20-16(13-18)12-17-14-19(9-11-21(17)20)26-24(28)27-23-7-3-5-15-4-1-2-6-22(15)23/h1-11,13-14H,12H2,(H2,26,27,28)
InChIKeyXRRPNLRPEPTESH-UHFFFAOYSA-N
XLogP6.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.39
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-9H-fluoren-2-yl)-3-naphthalen-1-ylthiourea?
The IUPAC name of 1-(7-bromo-9H-fluoren-2-yl)-3-naphthalen-1-ylthiourea (CID 24797818) is 1-(7-bromo-9H-fluoren-2-yl)-3-naphthalen-1-ylthiourea.
What is the SMILES notation for 1-(7-bromo-9H-fluoren-2-yl)-3-naphthalen-1-ylthiourea?
The canonical SMILES for 1-(7-bromo-9H-fluoren-2-yl)-3-naphthalen-1-ylthiourea is S=C(Nc1ccc2c(c1)Cc1cc(Br)ccc1-2)Nc1cccc2ccccc12.
What is the InChIKey of 1-(7-bromo-9H-fluoren-2-yl)-3-naphthalen-1-ylthiourea?
The InChIKey is XRRPNLRPEPTESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN2S/c25-18-8-10-20-16(13-18)12-17-14-19(9-11-21(17)20)26-24(28)27-23-7-3-5-15-4-1-2-6-22(15)23/h1-11,13-14H,12H2,(H2,26,27,28).
What are the key properties of 1-(7-bromo-9H-fluoren-2-yl)-3-naphthalen-1-ylthiourea?
1-(7-bromo-9H-fluoren-2-yl)-3-naphthalen-1-ylthiourea has a molecular weight of 445.39 g/mol, XLogP of 6.98, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-9H-fluoren-2-yl)-3-naphthalen-1-ylthiourea is sourced from PubChem (CID 24797818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).