aniline;9-(4-ethynylphenyl)carbazole

C26H20N2 — CID 174583422

IUPACaniline;9-(4-ethynylphenyl)carbazole
SMILESC#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.Nc1ccccc1
InChIInChI=1S/C20H13N.C6H7N/c1-2-15-11-13-16(14-12-15)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21;7-6-4-2-1-3-5-6/h1,3-14H;1-5H,7H2
InChIKeyXDZRBPPILMRRMM-UHFFFAOYSA-N
MW360.46 g/mol
LogP6.03
Rot. Bonds1

About aniline;9-(4-ethynylphenyl)carbazole

aniline;9-(4-ethynylphenyl)carbazole (PubChem CID 174583422) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is aniline;9-(4-ethynylphenyl)carbazole.

Molecular Properties

Compound Nameaniline;9-(4-ethynylphenyl)carbazole
PubChem CID174583422
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Nameaniline;9-(4-ethynylphenyl)carbazole
SMILESC#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.Nc1ccccc1
InChIInChI=1S/C20H13N.C6H7N/c1-2-15-11-13-16(14-12-15)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21;7-6-4-2-1-3-5-6/h1,3-14H;1-5H,7H2
InChIKeyXDZRBPPILMRRMM-UHFFFAOYSA-N
XLogP6.03
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-carbazol-9-ylphenyl)-1-phenylhydrazine
CID 146434356
ethane;9-(4-ethynylphenyl)carbazole;9-methyl-9-[2-[3-[2-(9-methylfluoren-9-yl)ethynyl]phenyl]ethynyl]fluorene
CID 161278148
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[2-[3-[2-(4-carbazol-9-ylphenyl)ethynyl]azulen-1-yl]ethynyl]phenyl]carbazole
CID 101423276
3-[9-[3-(4-ethynylphenyl)phenyl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 158617691
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
9-[4-(benzenesulfonyl)phenyl]carbazole
CID 132916142
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
9-[4-[2-(4-tert-butylphenyl)ethynyl]phenyl]carbazole
CID 141209126

Frequently Asked Questions

What is the IUPAC name of aniline;9-(4-ethynylphenyl)carbazole?
The IUPAC name of aniline;9-(4-ethynylphenyl)carbazole (CID 174583422) is aniline;9-(4-ethynylphenyl)carbazole.
What is the SMILES notation for aniline;9-(4-ethynylphenyl)carbazole?
The canonical SMILES for aniline;9-(4-ethynylphenyl)carbazole is C#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.Nc1ccccc1.
What is the InChIKey of aniline;9-(4-ethynylphenyl)carbazole?
The InChIKey is XDZRBPPILMRRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N.C6H7N/c1-2-15-11-13-16(14-12-15)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21;7-6-4-2-1-3-5-6/h1,3-14H;1-5H,7H2.
What are the key properties of aniline;9-(4-ethynylphenyl)carbazole?
aniline;9-(4-ethynylphenyl)carbazole has a molecular weight of 360.46 g/mol, XLogP of 6.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;9-(4-ethynylphenyl)carbazole is sourced from PubChem (CID 174583422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).