naphthalen-1-yl-(9-pentylcarbazol-3-yl)methanone

C28H25NO — CID 118796466

IUPACnaphthalen-1-yl-(9-pentylcarbazol-3-yl)methanone
SMILESCCCCCn1c2ccccc2c2cc(C(=O)c3cccc4ccccc34)ccc21
InChIInChI=1S/C28H25NO/c1-2-3-8-18-29-26-15-7-6-13-23(26)25-19-21(16-17-27(25)29)28(30)24-14-9-11-20-10-4-5-12-22(20)24/h4-7,9-17,19H,2-3,8,18H2,1H3
InChIKeyFJMMDJDPNLZYLA-UHFFFAOYSA-N
MW391.51 g/mol
LogP7.37
Rot. Bonds6

About naphthalen-1-yl-(9-pentylcarbazol-3-yl)methanone

naphthalen-1-yl-(9-pentylcarbazol-3-yl)methanone (PubChem CID 118796466) has the molecular formula C28H25NO and a molecular weight of 391.51 g/mol. Its IUPAC name is naphthalen-1-yl-(9-pentylcarbazol-3-yl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-(9-pentylcarbazol-3-yl)methanone
PubChem CID118796466
Molecular FormulaC28H25NO
Molecular Weight391.51 g/mol
Exact Mass391.19
IUPAC Namenaphthalen-1-yl-(9-pentylcarbazol-3-yl)methanone
SMILESCCCCCn1c2ccccc2c2cc(C(=O)c3cccc4ccccc34)ccc21
InChIInChI=1S/C28H25NO/c1-2-3-8-18-29-26-15-7-6-13-23(26)25-19-21(16-17-27(25)29)28(30)24-14-9-11-20-10-4-5-12-22(20)24/h4-7,9-17,19H,2-3,8,18H2,1H3
InChIKeyFJMMDJDPNLZYLA-UHFFFAOYSA-N
XLogP7.37
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(9-pentylcarbazol-3-yl)methanone?
The IUPAC name of naphthalen-1-yl-(9-pentylcarbazol-3-yl)methanone (CID 118796466) is naphthalen-1-yl-(9-pentylcarbazol-3-yl)methanone.
What is the SMILES notation for naphthalen-1-yl-(9-pentylcarbazol-3-yl)methanone?
The canonical SMILES for naphthalen-1-yl-(9-pentylcarbazol-3-yl)methanone is CCCCCn1c2ccccc2c2cc(C(=O)c3cccc4ccccc34)ccc21.
What is the InChIKey of naphthalen-1-yl-(9-pentylcarbazol-3-yl)methanone?
The InChIKey is FJMMDJDPNLZYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO/c1-2-3-8-18-29-26-15-7-6-13-23(26)25-19-21(16-17-27(25)29)28(30)24-14-9-11-20-10-4-5-12-22(20)24/h4-7,9-17,19H,2-3,8,18H2,1H3.
What are the key properties of naphthalen-1-yl-(9-pentylcarbazol-3-yl)methanone?
naphthalen-1-yl-(9-pentylcarbazol-3-yl)methanone has a molecular weight of 391.51 g/mol, XLogP of 7.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(9-pentylcarbazol-3-yl)methanone is sourced from PubChem (CID 118796466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).