7,9-bis(2,6-dimethylphenyl)-2,4-dimethylpyrido[1,2-a]indole

C60H58N2 — CID 139182591

IUPAC7,9-bis(2,6-dimethylphenyl)-2,4-dimethylpyrido[1,2-a]indole
SMILESCc1cc(C)c2c(c1)cc1c(-c3c(C)cccc3C)cc(-c3c(C)cccc3C)cn12.Cc1cc(C)c2c(c1)cc1c(-c3c(C)cccc3C)cc(-c3c(C)cccc3C)cn12
InChIInChI=1S/2C30H29N/c2*1-18-13-23(6)30-24(14-18)16-27-26(29-21(4)11-8-12-22(29)5)15-25(17-31(27)30)28-19(2)9-7-10-20(28)3/h2*7-17H,1-6H3
InChIKeyNBWGSIDQXRIBML-UHFFFAOYSA-N
MW807.14 g/mol
LogP16.55
Rot. Bonds4

About 7,9-bis(2,6-dimethylphenyl)-2,4-dimethylpyrido[1,2-a]indole

7,9-bis(2,6-dimethylphenyl)-2,4-dimethylpyrido[1,2-a]indole (PubChem CID 139182591) has the molecular formula C60H58N2 and a molecular weight of 807.14 g/mol. Its IUPAC name is 7,9-bis(2,6-dimethylphenyl)-2,4-dimethylpyrido[1,2-a]indole.

Molecular Properties

Compound Name7,9-bis(2,6-dimethylphenyl)-2,4-dimethylpyrido[1,2-a]indole
PubChem CID139182591
Molecular FormulaC60H58N2
Molecular Weight807.14 g/mol
Exact Mass806.46
IUPAC Name7,9-bis(2,6-dimethylphenyl)-2,4-dimethylpyrido[1,2-a]indole
SMILESCc1cc(C)c2c(c1)cc1c(-c3c(C)cccc3C)cc(-c3c(C)cccc3C)cn12.Cc1cc(C)c2c(c1)cc1c(-c3c(C)cccc3C)cc(-c3c(C)cccc3C)cn12
InChIInChI=1S/2C30H29N/c2*1-18-13-23(6)30-24(14-18)16-27-26(29-21(4)11-8-12-22(29)5)15-25(17-31(27)30)28-19(2)9-7-10-20(28)3/h2*7-17H,1-6H3
InChIKeyNBWGSIDQXRIBML-UHFFFAOYSA-N
XLogP16.55
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.14
LogP ≤ 516.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Latrepirdine
CID 197033
5-(3-benzylpyrrolidin-3-yl)-1-methyl-1H-indole
CID 44230733
9-Methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole
CID 135393502
NOP agonist-2
CID 129188443
1-(4-Fluoro-phenyl)-3-[4-(4-phenyl-piperidin-1-yl)-butyl]-1H-indole
CID 10342427
2,8-Dimethyl-5-((Z)-styryl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 46224879
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyridin-4-yl)quinoline
CID 46890523
2-Methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186429
4-[1-(1-Methylindol-5-yl)ethenyl]quinoline-2-carbonitrile
CID 155541275
2,8-dimethyl-5-(2-(pyridin-4-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 621659
Latrepirdine Dihydrochloride
CID 23729232
1H-Indole, 3-((4-methyl-1-naphthalenyl)methyl)-1-pentyl-
CID 85879908

Frequently Asked Questions

What is the IUPAC name of 7,9-bis(2,6-dimethylphenyl)-2,4-dimethylpyrido[1,2-a]indole?
The IUPAC name of 7,9-bis(2,6-dimethylphenyl)-2,4-dimethylpyrido[1,2-a]indole (CID 139182591) is 7,9-bis(2,6-dimethylphenyl)-2,4-dimethylpyrido[1,2-a]indole.
What is the SMILES notation for 7,9-bis(2,6-dimethylphenyl)-2,4-dimethylpyrido[1,2-a]indole?
The canonical SMILES for 7,9-bis(2,6-dimethylphenyl)-2,4-dimethylpyrido[1,2-a]indole is Cc1cc(C)c2c(c1)cc1c(-c3c(C)cccc3C)cc(-c3c(C)cccc3C)cn12.Cc1cc(C)c2c(c1)cc1c(-c3c(C)cccc3C)cc(-c3c(C)cccc3C)cn12.
What is the InChIKey of 7,9-bis(2,6-dimethylphenyl)-2,4-dimethylpyrido[1,2-a]indole?
The InChIKey is NBWGSIDQXRIBML-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H29N/c2*1-18-13-23(6)30-24(14-18)16-27-26(29-21(4)11-8-12-22(29)5)15-25(17-31(27)30)28-19(2)9-7-10-20(28)3/h2*7-17H,1-6H3.
What are the key properties of 7,9-bis(2,6-dimethylphenyl)-2,4-dimethylpyrido[1,2-a]indole?
7,9-bis(2,6-dimethylphenyl)-2,4-dimethylpyrido[1,2-a]indole has a molecular weight of 807.14 g/mol, XLogP of 16.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-bis(2,6-dimethylphenyl)-2,4-dimethylpyrido[1,2-a]indole is sourced from PubChem (CID 139182591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).