1-[(2,3-dimethylbenzo[g]indol-1-yl)methyl]-2,3-dimethylbenzo[g]indole

C29H26N2 — CID 20682975

IUPAC1-[(2,3-dimethylbenzo[g]indol-1-yl)methyl]-2,3-dimethylbenzo[g]indole
SMILESCc1c(C)n(Cn2c(C)c(C)c3ccc4ccccc4c32)c2c1ccc1ccccc12
InChIInChI=1S/C29H26N2/c1-18-20(3)30(28-24(18)15-13-22-9-5-7-11-26(22)28)17-31-21(4)19(2)25-16-14-23-10-6-8-12-27(23)29(25)31/h5-16H,17H2,1-4H3
InChIKeyZDSHWKCBAJXEDC-UHFFFAOYSA-N
MW402.54 g/mol
LogP7.64
Rot. Bonds2

About 1-[(2,3-dimethylbenzo[g]indol-1-yl)methyl]-2,3-dimethylbenzo[g]indole

1-[(2,3-dimethylbenzo[g]indol-1-yl)methyl]-2,3-dimethylbenzo[g]indole (PubChem CID 20682975) has the molecular formula C29H26N2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-[(2,3-dimethylbenzo[g]indol-1-yl)methyl]-2,3-dimethylbenzo[g]indole.

Molecular Properties

Compound Name1-[(2,3-dimethylbenzo[g]indol-1-yl)methyl]-2,3-dimethylbenzo[g]indole
PubChem CID20682975
Molecular FormulaC29H26N2
Molecular Weight402.54 g/mol
Exact Mass402.21
IUPAC Name1-[(2,3-dimethylbenzo[g]indol-1-yl)methyl]-2,3-dimethylbenzo[g]indole
SMILESCc1c(C)n(Cn2c(C)c(C)c3ccc4ccccc4c32)c2c1ccc1ccccc12
InChIInChI=1S/C29H26N2/c1-18-20(3)30(28-24(18)15-13-22-9-5-7-11-26(22)28)17-31-21(4)19(2)25-16-14-23-10-6-8-12-27(23)29(25)31/h5-16H,17H2,1-4H3
InChIKeyZDSHWKCBAJXEDC-UHFFFAOYSA-N
XLogP7.64
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-[(2,3-dimethylbenzo[f]indol-1-yl)methyl]-2,3-dimethylbenzo[f]indole
CID 20682974
3,8-di(anthracen-2-yl)-1,2,6,7-tetramethylindolo[7,6-g]indole
CID 58175201
11-ethyl-7,8,9,10-tetrahydrobenzo[a]carbazole
CID 130355396
9,18-diethyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 159952707
6,7,16,17-tetramethyl-8,15-bis(10-naphthalen-1-ylanthracen-9-yl)-8,15-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene
CID 58161130
1,2-dimethylnaphthalene;hydrobromide
CID 174429192
1,2-dimethylnaphthalene;ethane
CID 90922397
ethane;methane;phenanthrene
CID 144938954
chrysene;iron
CID 157379031
ethane;methane;phenanthrene
CID 144939263
phenanthrene;toluene
CID 158347700
N,N,1-trimethylnaphthalen-2-amine;hydrochloride
CID 174570104

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethylbenzo[g]indol-1-yl)methyl]-2,3-dimethylbenzo[g]indole?
The IUPAC name of 1-[(2,3-dimethylbenzo[g]indol-1-yl)methyl]-2,3-dimethylbenzo[g]indole (CID 20682975) is 1-[(2,3-dimethylbenzo[g]indol-1-yl)methyl]-2,3-dimethylbenzo[g]indole.
What is the SMILES notation for 1-[(2,3-dimethylbenzo[g]indol-1-yl)methyl]-2,3-dimethylbenzo[g]indole?
The canonical SMILES for 1-[(2,3-dimethylbenzo[g]indol-1-yl)methyl]-2,3-dimethylbenzo[g]indole is Cc1c(C)n(Cn2c(C)c(C)c3ccc4ccccc4c32)c2c1ccc1ccccc12.
What is the InChIKey of 1-[(2,3-dimethylbenzo[g]indol-1-yl)methyl]-2,3-dimethylbenzo[g]indole?
The InChIKey is ZDSHWKCBAJXEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2/c1-18-20(3)30(28-24(18)15-13-22-9-5-7-11-26(22)28)17-31-21(4)19(2)25-16-14-23-10-6-8-12-27(23)29(25)31/h5-16H,17H2,1-4H3.
What are the key properties of 1-[(2,3-dimethylbenzo[g]indol-1-yl)methyl]-2,3-dimethylbenzo[g]indole?
1-[(2,3-dimethylbenzo[g]indol-1-yl)methyl]-2,3-dimethylbenzo[g]indole has a molecular weight of 402.54 g/mol, XLogP of 7.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethylbenzo[g]indol-1-yl)methyl]-2,3-dimethylbenzo[g]indole is sourced from PubChem (CID 20682975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).