ethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole

C25H37N — CID 165044718

IUPACethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole
SMILESC/C=C\C=C/C.CC.CC.CC(C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C15H15N.C6H10.2C2H6/c1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;1-3-5-6-4-2;2*1-2/h3-11H,1-2H3;3-6H,1-2H3;2*1-2H3/b;5-3-,6-4-;;
InChIKeyORYRIMJNUNFZQH-JSCMPNCSSA-N
MW351.58 g/mol
LogP8.57
Rot. Bonds2

About ethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole

ethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole (PubChem CID 165044718) has the molecular formula C25H37N and a molecular weight of 351.58 g/mol. Its IUPAC name is ethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole.

Molecular Properties

Compound Nameethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole
PubChem CID165044718
Molecular FormulaC25H37N
Molecular Weight351.58 g/mol
Exact Mass351.29
IUPAC Nameethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole
SMILESC/C=C\C=C/C.CC.CC.CC(C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C15H15N.C6H10.2C2H6/c1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;1-3-5-6-4-2;2*1-2/h3-11H,1-2H3;3-6H,1-2H3;2*1-2H3/b;5-3-,6-4-;;
InChIKeyORYRIMJNUNFZQH-JSCMPNCSSA-N
XLogP8.57
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-propan-2-yl-2-(9-propan-2-ylcarbazol-2-yl)carbazole
CID 170205010
9-propan-2-ylcarbazole-3-carbaldehyde
CID 16762077
9-[(2Z,4Z)-hexa-2,4-dienyl]carbazole
CID 89011287
11-propan-2-ylbenzo[a]carbazole
CID 118058944
9-(1-phenylethyl)carbazole
CID 154375313
3-fluoro-2-methyl-1-propan-2-ylindole
CID 150270032
6-propan-2-ylbenzo[c][2,7]naphthyridin-5-one
CID 154465601
9-[(Z)-3-methyl-3-phenylhex-4-en-2-yl]carbazole
CID 146179732
3-(4-fluorophenyl)-1-propan-2-yl-2-[(E)-prop-1-enyl]indole
CID 18683567
3,5-dinitrobenzoic acid;9-propan-2-ylcarbazole
CID 139057652
(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene
CID 144690725
N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
CID 14982033

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole?
The IUPAC name of ethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole (CID 165044718) is ethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole.
What is the SMILES notation for ethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole?
The canonical SMILES for ethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole is C/C=C\C=C/C.CC.CC.CC(C)n1c2ccccc2c2ccccc21.
What is the InChIKey of ethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole?
The InChIKey is ORYRIMJNUNFZQH-JSCMPNCSSA-N. The full InChI is InChI=1S/C15H15N.C6H10.2C2H6/c1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;1-3-5-6-4-2;2*1-2/h3-11H,1-2H3;3-6H,1-2H3;2*1-2H3/b;5-3-,6-4-;;.
What are the key properties of ethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole?
ethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole has a molecular weight of 351.58 g/mol, XLogP of 8.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole is sourced from PubChem (CID 165044718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).