8-[2,5-dimethyl-4-(5H-pyrido[4,3-b]indol-8-yl)phenyl]-5-ethylpyrido[4,3-b]indole

C32H26N4 — CID 143168141

IUPAC8-[2,5-dimethyl-4-(5H-pyrido[4,3-b]indol-8-yl)phenyl]-5-ethylpyrido[4,3-b]indole
SMILESCCn1c2ccncc2c2cc(-c3cc(C)c(-c4ccc5[nH]c6ccncc6c5c4)cc3C)ccc21
InChIInChI=1S/C32H26N4/c1-4-36-31-8-6-22(16-26(31)28-18-34-12-10-32(28)36)24-14-19(2)23(13-20(24)3)21-5-7-29-25(15-21)27-17-33-11-9-30(27)35-29/h5-18,35H,4H2,1-3H3
InChIKeyZBSBBDDYDOGYJO-UHFFFAOYSA-N
MW466.59 g/mol
LogP8.19
Rot. Bonds3

About 8-[2,5-dimethyl-4-(5H-pyrido[4,3-b]indol-8-yl)phenyl]-5-ethylpyrido[4,3-b]indole

8-[2,5-dimethyl-4-(5H-pyrido[4,3-b]indol-8-yl)phenyl]-5-ethylpyrido[4,3-b]indole (PubChem CID 143168141) has the molecular formula C32H26N4 and a molecular weight of 466.59 g/mol. Its IUPAC name is 8-[2,5-dimethyl-4-(5H-pyrido[4,3-b]indol-8-yl)phenyl]-5-ethylpyrido[4,3-b]indole.

Molecular Properties

Compound Name8-[2,5-dimethyl-4-(5H-pyrido[4,3-b]indol-8-yl)phenyl]-5-ethylpyrido[4,3-b]indole
PubChem CID143168141
Molecular FormulaC32H26N4
Molecular Weight466.59 g/mol
Exact Mass466.22
IUPAC Name8-[2,5-dimethyl-4-(5H-pyrido[4,3-b]indol-8-yl)phenyl]-5-ethylpyrido[4,3-b]indole
SMILESCCn1c2ccncc2c2cc(-c3cc(C)c(-c4ccc5[nH]c6ccncc6c5c4)cc3C)ccc21
InChIInChI=1S/C32H26N4/c1-4-36-31-8-6-22(16-26(31)28-18-34-12-10-32(28)36)24-14-19(2)23(13-20(24)3)21-5-7-29-25(15-21)27-17-33-11-9-30(27)35-29/h5-18,35H,4H2,1-3H3
InChIKeyZBSBBDDYDOGYJO-UHFFFAOYSA-N
XLogP8.19
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[2,5-dimethyl-4-(5H-pyrido[4,3-b]indol-8-yl)phenyl]-5-ethylpyrido[4,3-b]indole with MolForge

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Related Compounds

N-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine
CID 116985827
8-bromo-5H-pyrido[4,3-b]indole
CID 15550397
1-[9-ethyl-6-(2-methylphenyl)carbazol-3-yl]ethanone
CID 91317353
(4-aminophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone
CID 52915293
12-(9H-carbazol-3-yl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 144661360
8,9-dimethyl-5H-pyrido[4,3-b]indole
CID 91330855
1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one
CID 116985878
9-ethyl-1,3,6-tripyridin-4-ylcarbazole
CID 141362770
3,6-bis(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole
CID 59306803
5-[4-[2,6-dimethyl-4-[8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indol-5-yl]phenyl]-3,5-dimethylphenyl]-8-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole
CID 59344138
(2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone
CID 52915289
6-(2,3-dihydro-1-benzofuran-5-yl)-9-ethylpyrido[3,4-b]indole
CID 123275947

Frequently Asked Questions

What is the IUPAC name of 8-[2,5-dimethyl-4-(5H-pyrido[4,3-b]indol-8-yl)phenyl]-5-ethylpyrido[4,3-b]indole?
The IUPAC name of 8-[2,5-dimethyl-4-(5H-pyrido[4,3-b]indol-8-yl)phenyl]-5-ethylpyrido[4,3-b]indole (CID 143168141) is 8-[2,5-dimethyl-4-(5H-pyrido[4,3-b]indol-8-yl)phenyl]-5-ethylpyrido[4,3-b]indole.
What is the SMILES notation for 8-[2,5-dimethyl-4-(5H-pyrido[4,3-b]indol-8-yl)phenyl]-5-ethylpyrido[4,3-b]indole?
The canonical SMILES for 8-[2,5-dimethyl-4-(5H-pyrido[4,3-b]indol-8-yl)phenyl]-5-ethylpyrido[4,3-b]indole is CCn1c2ccncc2c2cc(-c3cc(C)c(-c4ccc5[nH]c6ccncc6c5c4)cc3C)ccc21.
What is the InChIKey of 8-[2,5-dimethyl-4-(5H-pyrido[4,3-b]indol-8-yl)phenyl]-5-ethylpyrido[4,3-b]indole?
The InChIKey is ZBSBBDDYDOGYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4/c1-4-36-31-8-6-22(16-26(31)28-18-34-12-10-32(28)36)24-14-19(2)23(13-20(24)3)21-5-7-29-25(15-21)27-17-33-11-9-30(27)35-29/h5-18,35H,4H2,1-3H3.
What are the key properties of 8-[2,5-dimethyl-4-(5H-pyrido[4,3-b]indol-8-yl)phenyl]-5-ethylpyrido[4,3-b]indole?
8-[2,5-dimethyl-4-(5H-pyrido[4,3-b]indol-8-yl)phenyl]-5-ethylpyrido[4,3-b]indole has a molecular weight of 466.59 g/mol, XLogP of 8.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2,5-dimethyl-4-(5H-pyrido[4,3-b]indol-8-yl)phenyl]-5-ethylpyrido[4,3-b]indole is sourced from PubChem (CID 143168141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).