1-butyl-9H-carbazole;phosphane;hydrate

C16H22NOP — CID 174715058

IUPAC1-butyl-9H-carbazole;phosphane;hydrate
SMILESCCCCc1cccc2c1[nH]c1ccccc12.O.P
InChIInChI=1S/C16H17N.H2O.H3P/c1-2-3-7-12-8-6-10-14-13-9-4-5-11-15(13)17-16(12)14;;/h4-6,8-11,17H,2-3,7H2,1H3;1H2;1H3
InChIKeyVTYNRCVEQQCLKR-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.90
Rot. Bonds3

About 1-butyl-9H-carbazole;phosphane;hydrate

1-butyl-9H-carbazole;phosphane;hydrate (PubChem CID 174715058) has the molecular formula C16H22NOP and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-butyl-9H-carbazole;phosphane;hydrate.

Molecular Properties

Compound Name1-butyl-9H-carbazole;phosphane;hydrate
PubChem CID174715058
Molecular FormulaC16H22NOP
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name1-butyl-9H-carbazole;phosphane;hydrate
SMILESCCCCc1cccc2c1[nH]c1ccccc12.O.P
InChIInChI=1S/C16H17N.H2O.H3P/c1-2-3-7-12-8-6-10-14-13-9-4-5-11-15(13)17-16(12)14;;/h4-6,8-11,17H,2-3,7H2,1H3;1H2;1H3
InChIKeyVTYNRCVEQQCLKR-UHFFFAOYSA-N
XLogP3.90
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-nonyl-9H-carbazole
CID 66872642
1-butyl-11H-benzo[a]carbazole
CID 70621746
2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol
CID 164577577
1-(6-phenoxyhexyl)-9H-carbazole
CID 141296820
5-(9H-carbazol-1-yl)pentane-2,3-dione
CID 142696076
9H-carbazol-1-ylmethanol
CID 10987211
1-but-3-ynyl-9H-carbazole
CID 173036439
1-ethyl-2-nonyl-9H-carbazole
CID 142709978
4-N-(4-aminophenyl)-4-N-[6-(9H-carbazol-1-yl)hexyl]benzene-1,4-diamine
CID 141462433
3-(9H-carbazol-1-yl)propyl prop-2-enoate
CID 18766698
1-butylnaphthalene;ethane
CID 142087052
ethyl 9H-carbazol-1-ylmethanesulfonate
CID 174896621

Frequently Asked Questions

What is the IUPAC name of 1-butyl-9H-carbazole;phosphane;hydrate?
The IUPAC name of 1-butyl-9H-carbazole;phosphane;hydrate (CID 174715058) is 1-butyl-9H-carbazole;phosphane;hydrate.
What is the SMILES notation for 1-butyl-9H-carbazole;phosphane;hydrate?
The canonical SMILES for 1-butyl-9H-carbazole;phosphane;hydrate is CCCCc1cccc2c1[nH]c1ccccc12.O.P.
What is the InChIKey of 1-butyl-9H-carbazole;phosphane;hydrate?
The InChIKey is VTYNRCVEQQCLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N.H2O.H3P/c1-2-3-7-12-8-6-10-14-13-9-4-5-11-15(13)17-16(12)14;;/h4-6,8-11,17H,2-3,7H2,1H3;1H2;1H3.
What are the key properties of 1-butyl-9H-carbazole;phosphane;hydrate?
1-butyl-9H-carbazole;phosphane;hydrate has a molecular weight of 275.33 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-9H-carbazole;phosphane;hydrate is sourced from PubChem (CID 174715058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).