9-cyclohexa-1,5-dien-3-yn-1-ylcarbazole

C18H11N — CID 171737139

IUPAC9-cyclohexa-1,5-dien-3-yn-1-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccccc32)cc#1
InChIInChI=1S/C18H11N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h2,4-13H
InChIKeyUSEWBOCDMDYPNQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP4.38
Rot. Bonds1

About 9-cyclohexa-1,5-dien-3-yn-1-ylcarbazole

9-cyclohexa-1,5-dien-3-yn-1-ylcarbazole (PubChem CID 171737139) has the molecular formula C18H11N and a molecular weight of 241.29 g/mol. Its IUPAC name is 9-cyclohexa-1,5-dien-3-yn-1-ylcarbazole.

Molecular Properties

Compound Name9-cyclohexa-1,5-dien-3-yn-1-ylcarbazole
PubChem CID171737139
Molecular FormulaC18H11N
Molecular Weight241.29 g/mol
Exact Mass241.09
IUPAC Name9-cyclohexa-1,5-dien-3-yn-1-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccccc32)cc#1
InChIInChI=1S/C18H11N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h2,4-13H
InChIKeyUSEWBOCDMDYPNQ-UHFFFAOYSA-N
XLogP4.38
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9-cyclohexa-1,5-dien-3-yn-1-ylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 126611340
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-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen
CID 160506495
9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
9-phenylcarbazole;pyridine
CID 158880805
CID 168812360
CID 168812360
9-(4-phosphorosophenyl)carbazole
CID 175691393
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
CID 122548627
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,5-dien-3-yn-1-ylcarbazole?
The IUPAC name of 9-cyclohexa-1,5-dien-3-yn-1-ylcarbazole (CID 171737139) is 9-cyclohexa-1,5-dien-3-yn-1-ylcarbazole.
What is the SMILES notation for 9-cyclohexa-1,5-dien-3-yn-1-ylcarbazole?
The canonical SMILES for 9-cyclohexa-1,5-dien-3-yn-1-ylcarbazole is c1ccc(-n2c3ccccc3c3ccccc32)cc#1.
What is the InChIKey of 9-cyclohexa-1,5-dien-3-yn-1-ylcarbazole?
The InChIKey is USEWBOCDMDYPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h2,4-13H.
What are the key properties of 9-cyclohexa-1,5-dien-3-yn-1-ylcarbazole?
9-cyclohexa-1,5-dien-3-yn-1-ylcarbazole has a molecular weight of 241.29 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,5-dien-3-yn-1-ylcarbazole is sourced from PubChem (CID 171737139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).