9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazole

C17H12IN — CID 163881802

IUPAC9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazole
SMILESC1=CC(n2c3ccccc3c3ccccc32)=CC=I1
InChIInChI=1S/C17H12IN/c1-3-7-16-14(5-1)15-6-2-4-8-17(15)19(16)13-9-11-18-12-10-13/h1-12H
InChIKeyPTWLHMXMEQPLNG-UHFFFAOYSA-N
MW357.19 g/mol
LogP4.94
Rot. Bonds1

About 9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazole

9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazole (PubChem CID 163881802) has the molecular formula C17H12IN and a molecular weight of 357.19 g/mol. Its IUPAC name is 9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazole.

Molecular Properties

Compound Name9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazole
PubChem CID163881802
Molecular FormulaC17H12IN
Molecular Weight357.19 g/mol
Exact Mass357.00
IUPAC Name9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazole
SMILESC1=CC(n2c3ccccc3c3ccccc32)=CC=I1
InChIInChI=1S/C17H12IN/c1-3-7-16-14(5-1)15-6-2-4-8-17(15)19(16)13-9-11-18-12-10-13/h1-12H
InChIKeyPTWLHMXMEQPLNG-UHFFFAOYSA-N
XLogP4.94
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole
CID 147406745
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen
CID 160506495
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 129310423
9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 149013970
9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
CID 58939501
3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile
CID 134597706

Frequently Asked Questions

What is the IUPAC name of 9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazole?
The IUPAC name of 9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazole (CID 163881802) is 9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazole.
What is the SMILES notation for 9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazole?
The canonical SMILES for 9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazole is C1=CC(n2c3ccccc3c3ccccc32)=CC=I1.
What is the InChIKey of 9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazole?
The InChIKey is PTWLHMXMEQPLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12IN/c1-3-7-16-14(5-1)15-6-2-4-8-17(15)19(16)13-9-11-18-12-10-13/h1-12H.
What are the key properties of 9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazole?
9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazole has a molecular weight of 357.19 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1λ3-iodacyclohexa-1,3,5-trien-4-yl)carbazole is sourced from PubChem (CID 163881802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).