ethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole

C34H45N — CID 153373641

IUPACethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole
SMILESC=Cc1ccc(-n2c3ccc(CCCCCC)cc3c3cc(CCCCCC)ccc32)cc1.CC
InChIInChI=1S/C32H39N.C2H6/c1-4-7-9-11-13-26-17-21-31-29(23-26)30-24-27(14-12-10-8-5-2)18-22-32(30)33(31)28-19-15-25(6-3)16-20-28;1-2/h6,15-24H,3-5,7-14H2,1-2H3;1-2H3
InChIKeyLODGXELRQZMHIO-UHFFFAOYSA-N
MW467.74 g/mol
LogP10.70
Rot. Bonds12

About ethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole

ethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole (PubChem CID 153373641) has the molecular formula C34H45N and a molecular weight of 467.74 g/mol. Its IUPAC name is ethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole.

Molecular Properties

Compound Nameethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole
PubChem CID153373641
Molecular FormulaC34H45N
Molecular Weight467.74 g/mol
Exact Mass467.36
IUPAC Nameethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole
SMILESC=Cc1ccc(-n2c3ccc(CCCCCC)cc3c3cc(CCCCCC)ccc32)cc1.CC
InChIInChI=1S/C32H39N.C2H6/c1-4-7-9-11-13-26-17-21-31-29(23-26)30-24-27(14-12-10-8-5-2)18-22-32(30)33(31)28-19-15-25(6-3)16-20-28;1-2/h6,15-24H,3-5,7-14H2,1-2H3;1-2H3
InChIKeyLODGXELRQZMHIO-UHFFFAOYSA-N
XLogP10.70
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.74
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-[4-[(E)-2-[4-(3,6-dihexylcarbazol-9-yl)phenyl]ethenyl]phenyl]ethenyl]benzonitrile
CID 158260916
4-[(E)-2-[4-(3,6-dihexylcarbazol-9-yl)phenyl]ethenyl]benzonitrile
CID 146276106
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
9-[4-[4-[4-(3,6-dihexylcarbazol-9-yl)phenyl]-2,5-dihexylphenyl]phenyl]-3,6-dihexylcarbazole
CID 154973928
4-[(E)-2-[4-[(E)-2-[4-(3,6-dihexylcarbazol-9-yl)phenyl]ethenyl]phenyl]ethenyl]benzaldehyde;4-[(E)-2-[4-[(E)-2-[4-(3,6-dihexylcarbazol-9-yl)phenyl]ethenyl]phenyl]ethenyl]benzonitrile
CID 162009862
4-ethenyl-N-[4-(3-octylcarbazol-9-yl)phenyl]-N-phenylaniline;9-(4-ethenylphenyl)-3-(3-octylcarbazol-9-yl)carbazole;5-(4-ethenylphenyl)-8-octylpyrido[4,3-b]indole;9-(5-ethenylpyrimidin-2-yl)-3-octylcarbazole
CID 159950534
CID 174005636
CID 174005636
9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(6-pentoxyhexyl)carbazole
CID 59273670
3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole
CID 59845057
3-(3,6-dihexylcarbazol-9-yl)benzenesulfinic acid
CID 174702518
tributyl-[7-(4-ethenylphenyl)heptyl]phosphanium
CID 160536967

Frequently Asked Questions

What is the IUPAC name of ethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole?
The IUPAC name of ethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole (CID 153373641) is ethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole.
What is the SMILES notation for ethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole?
The canonical SMILES for ethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole is C=Cc1ccc(-n2c3ccc(CCCCCC)cc3c3cc(CCCCCC)ccc32)cc1.CC.
What is the InChIKey of ethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole?
The InChIKey is LODGXELRQZMHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N.C2H6/c1-4-7-9-11-13-26-17-21-31-29(23-26)30-24-27(14-12-10-8-5-2)18-22-32(30)33(31)28-19-15-25(6-3)16-20-28;1-2/h6,15-24H,3-5,7-14H2,1-2H3;1-2H3.
What are the key properties of ethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole?
ethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole has a molecular weight of 467.74 g/mol, XLogP of 10.70, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-(4-ethenylphenyl)-3,6-dihexylcarbazole is sourced from PubChem (CID 153373641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).