ethane;5-methyl-6H-indeno[2,1-b]indole;5-methyl-10H-indeno[1,2-b]indole

C40H50N2 — CID 157267257

IUPACethane;5-methyl-6H-indeno[2,1-b]indole;5-methyl-10H-indeno[1,2-b]indole
SMILESCC.CC.CC.CC.Cn1c2c(c3ccccc31)-c1ccccc1C2.Cn1c2c(c3ccccc31)Cc1ccccc1-2
InChIInChI=1S/2C16H13N.4C2H6/c1-17-15-9-5-4-8-13(15)14-10-11-6-2-3-7-12(11)16(14)17;1-17-14-9-5-4-8-13(14)16-12-7-3-2-6-11(12)10-15(16)17;4*1-2/h2*2-9H,10H2,1H3;4*1-2H3
InChIKeyAYDFONSWXULQRA-UHFFFAOYSA-N
MW558.85 g/mol
LogP11.60
Rot. Bonds

About ethane;5-methyl-6H-indeno[2,1-b]indole;5-methyl-10H-indeno[1,2-b]indole

ethane;5-methyl-6H-indeno[2,1-b]indole;5-methyl-10H-indeno[1,2-b]indole (PubChem CID 157267257) has the molecular formula C40H50N2 and a molecular weight of 558.85 g/mol. Its IUPAC name is ethane;5-methyl-6H-indeno[2,1-b]indole;5-methyl-10H-indeno[1,2-b]indole.

Molecular Properties

Compound Nameethane;5-methyl-6H-indeno[2,1-b]indole;5-methyl-10H-indeno[1,2-b]indole
PubChem CID157267257
Molecular FormulaC40H50N2
Molecular Weight558.85 g/mol
Exact Mass558.40
IUPAC Nameethane;5-methyl-6H-indeno[2,1-b]indole;5-methyl-10H-indeno[1,2-b]indole
SMILESCC.CC.CC.CC.Cn1c2c(c3ccccc31)-c1ccccc1C2.Cn1c2c(c3ccccc31)Cc1ccccc1-2
InChIInChI=1S/2C16H13N.4C2H6/c1-17-15-9-5-4-8-13(15)14-10-11-6-2-3-7-12(11)16(14)17;1-17-14-9-5-4-8-13(14)16-12-7-3-2-6-11(12)10-15(16)17;4*1-2/h2*2-9H,10H2,1H3;4*1-2H3
InChIKeyAYDFONSWXULQRA-UHFFFAOYSA-N
XLogP11.60
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.85
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-6H-indeno[2,1-b]indole
CID 13129411
2,3-dihydroinden-1-one;methane;5-methyl-10H-indeno[1,2-b]indole;1-methyl-1-phenylhydrazine;hydrochloride
CID 157208595
2-methoxy-5-methyl-6H-indeno[2,1-b]indole
CID 22722361
5,12-dimethyl-7H-indolo[3,2-d][1]benzazepin-6-one
CID 86082125
22-phenyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 159131557
5-prop-2-enyl-10H-indeno[1,2-b]indole
CID 18424932
18-methyl-18-azatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaene
CID 145265092
5-methyl-11H-indeno[1,2-b]carbazole
CID 71127484
1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
CID 149183864
2,3-bis(ethenyl)-1H-indene;ethane;9-methylcarbazole
CID 144597079
12,21-dimethyl-12,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),4,6,8,15,17,19-heptaene
CID 122365826
9-methyl-2,4-dihydro-1H-carbazol-3-one
CID 12026696

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-6H-indeno[2,1-b]indole;5-methyl-10H-indeno[1,2-b]indole?
The IUPAC name of ethane;5-methyl-6H-indeno[2,1-b]indole;5-methyl-10H-indeno[1,2-b]indole (CID 157267257) is ethane;5-methyl-6H-indeno[2,1-b]indole;5-methyl-10H-indeno[1,2-b]indole.
What is the SMILES notation for ethane;5-methyl-6H-indeno[2,1-b]indole;5-methyl-10H-indeno[1,2-b]indole?
The canonical SMILES for ethane;5-methyl-6H-indeno[2,1-b]indole;5-methyl-10H-indeno[1,2-b]indole is CC.CC.CC.CC.Cn1c2c(c3ccccc31)-c1ccccc1C2.Cn1c2c(c3ccccc31)Cc1ccccc1-2.
What is the InChIKey of ethane;5-methyl-6H-indeno[2,1-b]indole;5-methyl-10H-indeno[1,2-b]indole?
The InChIKey is AYDFONSWXULQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H13N.4C2H6/c1-17-15-9-5-4-8-13(15)14-10-11-6-2-3-7-12(11)16(14)17;1-17-14-9-5-4-8-13(14)16-12-7-3-2-6-11(12)10-15(16)17;4*1-2/h2*2-9H,10H2,1H3;4*1-2H3.
What are the key properties of ethane;5-methyl-6H-indeno[2,1-b]indole;5-methyl-10H-indeno[1,2-b]indole?
ethane;5-methyl-6H-indeno[2,1-b]indole;5-methyl-10H-indeno[1,2-b]indole has a molecular weight of 558.85 g/mol, XLogP of 11.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-6H-indeno[2,1-b]indole;5-methyl-10H-indeno[1,2-b]indole is sourced from PubChem (CID 157267257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).