9-(4-iodophenyl)-3,6-dimethylcarbazole

C20H16IN — CID 141350753

IUPAC9-(4-iodophenyl)-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(I)cc1
InChIInChI=1S/C20H16IN/c1-13-3-9-19-17(11-13)18-12-14(2)4-10-20(18)22(19)16-7-5-15(21)6-8-16/h3-12H,1-2H3
InChIKeyBTYHLWOUYNYVGN-UHFFFAOYSA-N
MW397.26 g/mol
LogP6.01
Rot. Bonds1

About 9-(4-iodophenyl)-3,6-dimethylcarbazole

9-(4-iodophenyl)-3,6-dimethylcarbazole (PubChem CID 141350753) has the molecular formula C20H16IN and a molecular weight of 397.26 g/mol. Its IUPAC name is 9-(4-iodophenyl)-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-(4-iodophenyl)-3,6-dimethylcarbazole
PubChem CID141350753
Molecular FormulaC20H16IN
Molecular Weight397.26 g/mol
Exact Mass397.03
IUPAC Name9-(4-iodophenyl)-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(I)cc1
InChIInChI=1S/C20H16IN/c1-13-3-9-19-17(11-13)18-12-14(2)4-10-20(18)22(19)16-7-5-15(21)6-8-16/h3-12H,1-2H3
InChIKeyBTYHLWOUYNYVGN-UHFFFAOYSA-N
XLogP6.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.26
LogP ≤ 56.01
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

3-iodo-6-methyl-9-phenylcarbazole
CID 121336182
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
3-iodo-9-(4-iodophenyl)carbazole
CID 139783630
9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole
CID 138699297
3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488392
9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole
CID 140923989
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]aniline
CID 143119094
2-methyl-7-(4-methylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 71140488
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
CID 88930604
CID 88930604

Frequently Asked Questions

What is the IUPAC name of 9-(4-iodophenyl)-3,6-dimethylcarbazole?
The IUPAC name of 9-(4-iodophenyl)-3,6-dimethylcarbazole (CID 141350753) is 9-(4-iodophenyl)-3,6-dimethylcarbazole.
What is the SMILES notation for 9-(4-iodophenyl)-3,6-dimethylcarbazole?
The canonical SMILES for 9-(4-iodophenyl)-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(I)cc1.
What is the InChIKey of 9-(4-iodophenyl)-3,6-dimethylcarbazole?
The InChIKey is BTYHLWOUYNYVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16IN/c1-13-3-9-19-17(11-13)18-12-14(2)4-10-20(18)22(19)16-7-5-15(21)6-8-16/h3-12H,1-2H3.
What are the key properties of 9-(4-iodophenyl)-3,6-dimethylcarbazole?
9-(4-iodophenyl)-3,6-dimethylcarbazole has a molecular weight of 397.26 g/mol, XLogP of 6.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-iodophenyl)-3,6-dimethylcarbazole is sourced from PubChem (CID 141350753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).