9-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydrocarbazole

C18H19N — CID 145313772

IUPAC9-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydrocarbazole
SMILESC1=CCC(n2c3c(c4ccccc42)CCCC3)C=C1
InChIInChI=1S/C18H19N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-4,6,8,10,12,14H,5,7,9,11,13H2
InChIKeyYUWHJIYISQUFFI-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.58
Rot. Bonds1

About 9-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydrocarbazole

9-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydrocarbazole (PubChem CID 145313772) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 9-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name9-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydrocarbazole
PubChem CID145313772
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name9-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydrocarbazole
SMILESC1=CCC(n2c3c(c4ccccc42)CCCC3)C=C1
InChIInChI=1S/C18H19N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-4,6,8,10,12,14H,5,7,9,11,13H2
InChIKeyYUWHJIYISQUFFI-UHFFFAOYSA-N
XLogP4.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole
CID 129111739
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093
3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118686609
9-iodo-1,2,3,4-tetrahydrocarbazole
CID 146323792
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole
CID 88529559
1,2,3,4-tetrahydrocarbazole-9-carbaldehyde
CID 12710330
9-cyclohexa-2,4-dien-1-yl-3-(2,3,7,8,9,10-hexahydrotriphenylen-2-yl)carbazole
CID 134390909
11-cyclohexa-2,4-dien-1-yl-25-phenyl-2,16-dioxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene
CID 126570171
9-cyclohexa-1,3-dien-1-yl-9-cyclohexa-2,4-dien-1-yl-10-[3-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)phenyl]phenyl]acridine
CID 139333838
3-butyl-9-cyclohexa-2,4-dien-1-yl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole
CID 163846017
9-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 134416567
11-cyclohexa-2,4-dien-1-yl-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-b]carbazole
CID 163688380

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 9-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydrocarbazole (CID 145313772) is 9-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 9-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 9-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydrocarbazole is C1=CCC(n2c3c(c4ccccc42)CCCC3)C=C1.
What is the InChIKey of 9-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydrocarbazole?
The InChIKey is YUWHJIYISQUFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-4,6,8,10,12,14H,5,7,9,11,13H2.
What are the key properties of 9-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydrocarbazole?
9-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydrocarbazole has a molecular weight of 249.36 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 145313772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).