5,6-dimethyl-1,2,3-triphenylindole

C28H23N — CID 102138148

IUPAC5,6-dimethyl-1,2,3-triphenylindole
SMILESCc1cc2c(-c3ccccc3)c(-c3ccccc3)n(-c3ccccc3)c2cc1C
InChIInChI=1S/C28H23N/c1-20-18-25-26(19-21(20)2)29(24-16-10-5-11-17-24)28(23-14-8-4-9-15-23)27(25)22-12-6-3-7-13-22/h3-19H,1-2H3
InChIKeyQDGQONMFCWBFME-UHFFFAOYSA-N
MW373.50 g/mol
LogP7.58
Rot. Bonds3

About 5,6-dimethyl-1,2,3-triphenylindole

5,6-dimethyl-1,2,3-triphenylindole (PubChem CID 102138148) has the molecular formula C28H23N and a molecular weight of 373.50 g/mol. Its IUPAC name is 5,6-dimethyl-1,2,3-triphenylindole.

Molecular Properties

Compound Name5,6-dimethyl-1,2,3-triphenylindole
PubChem CID102138148
Molecular FormulaC28H23N
Molecular Weight373.50 g/mol
Exact Mass373.18
IUPAC Name5,6-dimethyl-1,2,3-triphenylindole
SMILESCc1cc2c(-c3ccccc3)c(-c3ccccc3)n(-c3ccccc3)c2cc1C
InChIInChI=1S/C28H23N/c1-20-18-25-26(19-21(20)2)29(24-16-10-5-11-17-24)28(23-14-8-4-9-15-23)27(25)22-12-6-3-7-13-22/h3-19H,1-2H3
InChIKeyQDGQONMFCWBFME-UHFFFAOYSA-N
XLogP7.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6,7,8,12,16,17,18-octakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
CID 58131848
1,2,3-triphenylbenzo[f]indole
CID 102138150
6,16-bis(3,5-diphenylphenyl)-2,7,8,12,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
CID 58131782
11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
CID 71142575
2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole
CID 166512378
4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline
CID 58161105
2-methyl-3-(1-methyl-2,3-diphenylindol-7-yl)-1-phenylbenzo[f]indole
CID 59119015
N,N-bis[4-(3-phenylphenyl)phenyl]-4-(1,2,3-triphenylindol-5-yl)aniline
CID 58161042
1-(3,5-diphenylphenyl)-2,3,5-triphenylindole
CID 126620765
2,12-bis(9,9-dimethylfluoren-2-yl)-6,7,8,16,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
CID 58131870
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
9-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]carbazol-3-amine
CID 58161015

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1,2,3-triphenylindole?
The IUPAC name of 5,6-dimethyl-1,2,3-triphenylindole (CID 102138148) is 5,6-dimethyl-1,2,3-triphenylindole.
What is the SMILES notation for 5,6-dimethyl-1,2,3-triphenylindole?
The canonical SMILES for 5,6-dimethyl-1,2,3-triphenylindole is Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(-c3ccccc3)c2cc1C.
What is the InChIKey of 5,6-dimethyl-1,2,3-triphenylindole?
The InChIKey is QDGQONMFCWBFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N/c1-20-18-25-26(19-21(20)2)29(24-16-10-5-11-17-24)28(23-14-8-4-9-15-23)27(25)22-12-6-3-7-13-22/h3-19H,1-2H3.
What are the key properties of 5,6-dimethyl-1,2,3-triphenylindole?
5,6-dimethyl-1,2,3-triphenylindole has a molecular weight of 373.50 g/mol, XLogP of 7.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1,2,3-triphenylindole is sourced from PubChem (CID 102138148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).