2-[9-(1H-indol-2-yl)-2,7-dimethylxanthen-9-yl]-1H-indole

C31H24N2O — CID 101124309

IUPAC2-[9-(1H-indol-2-yl)-2,7-dimethylxanthen-9-yl]-1H-indole
SMILESCc1ccc2c(c1)C(c1cc3ccccc3[nH]1)(c1cc3ccccc3[nH]1)c1cc(C)ccc1O2
InChIInChI=1S/C31H24N2O/c1-19-11-13-27-23(15-19)31(24-16-20(2)12-14-28(24)34-27,29-17-21-7-3-5-9-25(21)32-29)30-18-22-8-4-6-10-26(22)33-30/h3-18,32-33H,1-2H3
InChIKeyMVIADGCBYAUNPB-UHFFFAOYSA-N
MW440.55 g/mol
LogP7.75
Rot. Bonds2

About 2-[9-(1H-indol-2-yl)-2,7-dimethylxanthen-9-yl]-1H-indole

2-[9-(1H-indol-2-yl)-2,7-dimethylxanthen-9-yl]-1H-indole (PubChem CID 101124309) has the molecular formula C31H24N2O and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-[9-(1H-indol-2-yl)-2,7-dimethylxanthen-9-yl]-1H-indole.

Molecular Properties

Compound Name2-[9-(1H-indol-2-yl)-2,7-dimethylxanthen-9-yl]-1H-indole
PubChem CID101124309
Molecular FormulaC31H24N2O
Molecular Weight440.55 g/mol
Exact Mass440.19
IUPAC Name2-[9-(1H-indol-2-yl)-2,7-dimethylxanthen-9-yl]-1H-indole
SMILESCc1ccc2c(c1)C(c1cc3ccccc3[nH]1)(c1cc3ccccc3[nH]1)c1cc(C)ccc1O2
InChIInChI=1S/C31H24N2O/c1-19-11-13-27-23(15-19)31(24-16-20(2)12-14-28(24)34-27,29-17-21-7-3-5-9-25(21)32-29)30-18-22-8-4-6-10-26(22)33-30/h3-18,32-33H,1-2H3
InChIKeyMVIADGCBYAUNPB-UHFFFAOYSA-N
XLogP7.75
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 57.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-[9-(1H-indol-2-yl)-2,7-dimethylxanthen-9-yl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
2-(1-methylcycloheptyl)-1H-indole
CID 173176974
2-[2,7-dimethyl-9-(6-phenyl-2-pyridinyl)xanthen-9-yl]-6-phenylpyridine;platinum(2+)
CID 140824186
3-ethyl-3-(1H-indol-2-yl)-5-methyl-2H-1,2-oxazole
CID 23325475
2-methyl-1H-indole;hydrofluoride
CID 163912177
benzene;2-methyl-1H-indole
CID 158804583
4,6-dimethyl-4-phenyl-1,3-benzodioxin-2-one
CID 86245402
1-(1H-indol-2-yl)cyclobutan-1-amine
CID 82602362
1-(5-methyl-1H-indol-2-yl)cyclopropan-1-amine
CID 82405741
9,9-bis(3-methylphenyl)xanthene
CID 23542272
9-[(Z)-but-2-enyl]-2,9-dimethylxanthene
CID 142509927
(2S,3R,4S,5S,6R)-2-chloro-6-(hydroxymethyl)-4-(1H-indol-2-yl)oxane-2,3,4,5-tetrol
CID 151539726

Frequently Asked Questions

What is the IUPAC name of 2-[9-(1H-indol-2-yl)-2,7-dimethylxanthen-9-yl]-1H-indole?
The IUPAC name of 2-[9-(1H-indol-2-yl)-2,7-dimethylxanthen-9-yl]-1H-indole (CID 101124309) is 2-[9-(1H-indol-2-yl)-2,7-dimethylxanthen-9-yl]-1H-indole.
What is the SMILES notation for 2-[9-(1H-indol-2-yl)-2,7-dimethylxanthen-9-yl]-1H-indole?
The canonical SMILES for 2-[9-(1H-indol-2-yl)-2,7-dimethylxanthen-9-yl]-1H-indole is Cc1ccc2c(c1)C(c1cc3ccccc3[nH]1)(c1cc3ccccc3[nH]1)c1cc(C)ccc1O2.
What is the InChIKey of 2-[9-(1H-indol-2-yl)-2,7-dimethylxanthen-9-yl]-1H-indole?
The InChIKey is MVIADGCBYAUNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2O/c1-19-11-13-27-23(15-19)31(24-16-20(2)12-14-28(24)34-27,29-17-21-7-3-5-9-25(21)32-29)30-18-22-8-4-6-10-26(22)33-30/h3-18,32-33H,1-2H3.
What are the key properties of 2-[9-(1H-indol-2-yl)-2,7-dimethylxanthen-9-yl]-1H-indole?
2-[9-(1H-indol-2-yl)-2,7-dimethylxanthen-9-yl]-1H-indole has a molecular weight of 440.55 g/mol, XLogP of 7.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(1H-indol-2-yl)-2,7-dimethylxanthen-9-yl]-1H-indole is sourced from PubChem (CID 101124309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).