1,1'-biphenyl;1-ethynyl-9H-carbazole

C26H19N — CID 174492389

IUPAC1,1'-biphenyl;1-ethynyl-9H-carbazole
SMILESC#Cc1cccc2c1[nH]c1ccccc12.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H9N.C12H10/c1-2-10-6-5-8-12-11-7-3-4-9-13(11)15-14(10)12;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-9,15H;1-10H
InChIKeyRSTZUUQIVMXCPJ-UHFFFAOYSA-N
MW345.44 g/mol
LogP6.66
Rot. Bonds1

About 1,1'-biphenyl;1-ethynyl-9H-carbazole

1,1'-biphenyl;1-ethynyl-9H-carbazole (PubChem CID 174492389) has the molecular formula C26H19N and a molecular weight of 345.44 g/mol. Its IUPAC name is 1,1'-biphenyl;1-ethynyl-9H-carbazole.

Molecular Properties

Compound Name1,1'-biphenyl;1-ethynyl-9H-carbazole
PubChem CID174492389
Molecular FormulaC26H19N
Molecular Weight345.44 g/mol
Exact Mass345.15
IUPAC Name1,1'-biphenyl;1-ethynyl-9H-carbazole
SMILESC#Cc1cccc2c1[nH]c1ccccc12.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H9N.C12H10/c1-2-10-6-5-8-12-11-7-3-4-9-13(11)15-14(10)12;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-9,15H;1-10H
InChIKeyRSTZUUQIVMXCPJ-UHFFFAOYSA-N
XLogP6.66
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Carbazole
CID 6854
7H-Dibenzo(c,g)carbazole
CID 9134
2-Methylindole
CID 7224
LE-300
CID 4350931
2,3-Dimethylindole
CID 7053
2-Phenylindole
CID 13698
4,9-Dihydro-1-methyl-3H-pyrido(3,4-b)indole
CID 160510
Gat211
CID 4402318
2,3-diphenyl-1H-indole
CID 77020
Benzo[a]carbazole
CID 9196
3H-Pyrido(3,4-b)indole, 4,9-dihydro-
CID 145772
1,2,3,4-Tetrahydrocarbazole
CID 13664

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1-ethynyl-9H-carbazole?
The IUPAC name of 1,1'-biphenyl;1-ethynyl-9H-carbazole (CID 174492389) is 1,1'-biphenyl;1-ethynyl-9H-carbazole.
What is the SMILES notation for 1,1'-biphenyl;1-ethynyl-9H-carbazole?
The canonical SMILES for 1,1'-biphenyl;1-ethynyl-9H-carbazole is C#Cc1cccc2c1[nH]c1ccccc12.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1-ethynyl-9H-carbazole?
The InChIKey is RSTZUUQIVMXCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N.C12H10/c1-2-10-6-5-8-12-11-7-3-4-9-13(11)15-14(10)12;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-9,15H;1-10H.
What are the key properties of 1,1'-biphenyl;1-ethynyl-9H-carbazole?
1,1'-biphenyl;1-ethynyl-9H-carbazole has a molecular weight of 345.44 g/mol, XLogP of 6.66, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1-ethynyl-9H-carbazole is sourced from PubChem (CID 174492389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).