5-iodo-6-(4-methoxyphenyl)-11-methylbenzo[a]carbazole

C24H18INO — CID 56931368

IUPAC5-iodo-6-(4-methoxyphenyl)-11-methylbenzo[a]carbazole
SMILESCOc1ccc(-c2c(I)c3ccccc3c3c2c2ccccc2n3C)cc1
InChIInChI=1S/C24H18INO/c1-26-20-10-6-5-9-19(20)22-21(15-11-13-16(27-2)14-12-15)23(25)17-7-3-4-8-18(17)24(22)26/h3-14H,1-2H3
InChIKeyHJYSITMSBYCJJQ-UHFFFAOYSA-N
MW463.32 g/mol
LogP6.76
Rot. Bonds2

About 5-iodo-6-(4-methoxyphenyl)-11-methylbenzo[a]carbazole

5-iodo-6-(4-methoxyphenyl)-11-methylbenzo[a]carbazole (PubChem CID 56931368) has the molecular formula C24H18INO and a molecular weight of 463.32 g/mol. Its IUPAC name is 5-iodo-6-(4-methoxyphenyl)-11-methylbenzo[a]carbazole.

Molecular Properties

Compound Name5-iodo-6-(4-methoxyphenyl)-11-methylbenzo[a]carbazole
PubChem CID56931368
Molecular FormulaC24H18INO
Molecular Weight463.32 g/mol
Exact Mass463.04
IUPAC Name5-iodo-6-(4-methoxyphenyl)-11-methylbenzo[a]carbazole
SMILESCOc1ccc(-c2c(I)c3ccccc3c3c2c2ccccc2n3C)cc1
InChIInChI=1S/C24H18INO/c1-26-20-10-6-5-9-19(20)22-21(15-11-13-16(27-2)14-12-15)23(25)17-7-3-4-8-18(17)24(22)26/h3-14H,1-2H3
InChIKeyHJYSITMSBYCJJQ-UHFFFAOYSA-N
XLogP6.76
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.32
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-4-(4-methoxyphenyl)-9-methylcarbazole
CID 139045597
11-methyl-5,6-diphenylbenzo[a]carbazole
CID 102308000
5-iodo-6-(4-methoxyphenyl)-7-methylindolo[1,2-a]quinoline
CID 139091933
2-butyl-3,4-bis(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-1-one
CID 135059898
3-(4-methoxyphenyl)-4-methylthieno[3,4-b]indole
CID 10493963
2-(4-methoxyphenyl)-9-methylcarbazol-4-ol
CID 155167849
9-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),2(10),3,5,7,11,13,15,17,19,21,23-dodecaene
CID 158780062
5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole
CID 163788031
2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole
CID 71620291
4-[12-[4-[bis(prop-2-ynyl)amino]phenyl]-5,11-dimethylindolo[3,2-b]carbazol-6-yl]-N,N-bis(prop-2-ynyl)aniline
CID 170680306
2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole
CID 155676892
9-methoxy-5-methylcyclohepta[b]indol-6-one
CID 10561977

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-(4-methoxyphenyl)-11-methylbenzo[a]carbazole?
The IUPAC name of 5-iodo-6-(4-methoxyphenyl)-11-methylbenzo[a]carbazole (CID 56931368) is 5-iodo-6-(4-methoxyphenyl)-11-methylbenzo[a]carbazole.
What is the SMILES notation for 5-iodo-6-(4-methoxyphenyl)-11-methylbenzo[a]carbazole?
The canonical SMILES for 5-iodo-6-(4-methoxyphenyl)-11-methylbenzo[a]carbazole is COc1ccc(-c2c(I)c3ccccc3c3c2c2ccccc2n3C)cc1.
What is the InChIKey of 5-iodo-6-(4-methoxyphenyl)-11-methylbenzo[a]carbazole?
The InChIKey is HJYSITMSBYCJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18INO/c1-26-20-10-6-5-9-19(20)22-21(15-11-13-16(27-2)14-12-15)23(25)17-7-3-4-8-18(17)24(22)26/h3-14H,1-2H3.
What are the key properties of 5-iodo-6-(4-methoxyphenyl)-11-methylbenzo[a]carbazole?
5-iodo-6-(4-methoxyphenyl)-11-methylbenzo[a]carbazole has a molecular weight of 463.32 g/mol, XLogP of 6.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-(4-methoxyphenyl)-11-methylbenzo[a]carbazole is sourced from PubChem (CID 56931368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).