9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole

C19H16IN — CID 145291042

IUPAC9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole
SMILESCC1C=Cc2c(c3ccccc3n2-c2ccc(I)cc2)C1
InChIInChI=1S/C19H16IN/c1-13-6-11-19-17(12-13)16-4-2-3-5-18(16)21(19)15-9-7-14(20)8-10-15/h2-11,13H,12H2,1H3
InChIKeyIYTISXQEDRXPKT-UHFFFAOYSA-N
MW385.25 g/mol
LogP5.44
Rot. Bonds1

About 9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole

9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole (PubChem CID 145291042) has the molecular formula C19H16IN and a molecular weight of 385.25 g/mol. Its IUPAC name is 9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole.

Molecular Properties

Compound Name9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole
PubChem CID145291042
Molecular FormulaC19H16IN
Molecular Weight385.25 g/mol
Exact Mass385.03
IUPAC Name9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole
SMILESCC1C=Cc2c(c3ccccc3n2-c2ccc(I)cc2)C1
InChIInChI=1S/C19H16IN/c1-13-6-11-19-17(12-13)16-4-2-3-5-18(16)21(19)15-9-7-14(20)8-10-15/h2-11,13H,12H2,1H3
InChIKeyIYTISXQEDRXPKT-UHFFFAOYSA-N
XLogP5.44
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.25
LogP ≤ 55.44
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-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 144740109
9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole
CID 138548370
9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole
CID 146532040
3-methyl-3,4-dihydrocarbazol-9-amine
CID 174255238
7-bromo-3-methyl-9-phenyl-3,4-dihydrocarbazole
CID 145280447
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163834153
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole
CID 129209891
2-(9,9-dimethylfluoren-2-yl)-4-(3-methyl-3,4-dihydrocarbazol-9-yl)aniline
CID 118507114
9-[4-(4-methyl-4,4a-dihydronaphthalen-2-yl)phenyl]-3-[4-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]carbazole
CID 163788880
3-iodo-9-(4-iodophenyl)carbazole
CID 139783630
4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 118686849
3-methyl-12-phenyl-4,11-dihydro-3H-indolo[2,3-a]carbazole
CID 177035992

Frequently Asked Questions

What is the IUPAC name of 9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole?
The IUPAC name of 9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole (CID 145291042) is 9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole.
What is the SMILES notation for 9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole?
The canonical SMILES for 9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole is CC1C=Cc2c(c3ccccc3n2-c2ccc(I)cc2)C1.
What is the InChIKey of 9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole?
The InChIKey is IYTISXQEDRXPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16IN/c1-13-6-11-19-17(12-13)16-4-2-3-5-18(16)21(19)15-9-7-14(20)8-10-15/h2-11,13H,12H2,1H3.
What are the key properties of 9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole?
9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole has a molecular weight of 385.25 g/mol, XLogP of 5.44, 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-methyl-3,4-dihydrocarbazole is sourced from PubChem (CID 145291042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).