[4,6-bis(5-ethylpyrido[3,2-b]indol-8-yl)-1,3,5-triazin-2-yl]methanamine

C30H26N8 — CID 171509587

IUPAC[4,6-bis(5-ethylpyrido[3,2-b]indol-8-yl)-1,3,5-triazin-2-yl]methanamine
SMILESCCn1c2ccc(-c3nc(CN)nc(-c4ccc5c(c4)c4ncccc4n5CC)n3)cc2c2ncccc21
InChIInChI=1S/C30H26N8/c1-3-37-22-11-9-18(15-20(22)27-24(37)7-5-13-32-27)29-34-26(17-31)35-30(36-29)19-10-12-23-21(16-19)28-25(38(23)4-2)8-6-14-33-28/h5-16H,3-4,17,31H2,1-2H3
InChIKeyXYOZIOSIHOIWCY-UHFFFAOYSA-N
MW498.59 g/mol
LogP5.71
Rot. Bonds5

About [4,6-bis(5-ethylpyrido[3,2-b]indol-8-yl)-1,3,5-triazin-2-yl]methanamine

[4,6-bis(5-ethylpyrido[3,2-b]indol-8-yl)-1,3,5-triazin-2-yl]methanamine (PubChem CID 171509587) has the molecular formula C30H26N8 and a molecular weight of 498.59 g/mol. Its IUPAC name is [4,6-bis(5-ethylpyrido[3,2-b]indol-8-yl)-1,3,5-triazin-2-yl]methanamine.

Molecular Properties

Compound Name[4,6-bis(5-ethylpyrido[3,2-b]indol-8-yl)-1,3,5-triazin-2-yl]methanamine
PubChem CID171509587
Molecular FormulaC30H26N8
Molecular Weight498.59 g/mol
Exact Mass498.23
IUPAC Name[4,6-bis(5-ethylpyrido[3,2-b]indol-8-yl)-1,3,5-triazin-2-yl]methanamine
SMILESCCn1c2ccc(-c3nc(CN)nc(-c4ccc5c(c4)c4ncccc4n5CC)n3)cc2c2ncccc21
InChIInChI=1S/C30H26N8/c1-3-37-22-11-9-18(15-20(22)27-24(37)7-5-13-32-27)29-34-26(17-31)35-30(36-29)19-10-12-23-21(16-19)28-25(38(23)4-2)8-6-14-33-28/h5-16H,3-4,17,31H2,1-2H3
InChIKeyXYOZIOSIHOIWCY-UHFFFAOYSA-N
XLogP5.71
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-ethyl-8-methylpyrido[3,2-b]indole
CID 171509637
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole
CID 58556574
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole
CID 160897853
9-ethyl-3-(1H-imidazo[4,5-b]pyridin-2-yl)carbazole
CID 10041217
9-ethyl-3-(3-pyridin-2-ylphenyl)carbazole
CID 58435161
5-methyl-8-phenylpyrido[3,2-b]indole
CID 118000252
9-ethyl-3-[5-[4-[2-[4-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]phenyl]thiophen-2-yl]carbazole
CID 101215396
5-ethyl-9-methylpyrido[3,2-b]indole
CID 171509495
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 129221991
8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 118587585
5-[4-phenyl-6-[7-(9-phenylcarbazol-3-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]pyrido[3,2-b]indole
CID 131996675
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587602

Frequently Asked Questions

What is the IUPAC name of [4,6-bis(5-ethylpyrido[3,2-b]indol-8-yl)-1,3,5-triazin-2-yl]methanamine?
The IUPAC name of [4,6-bis(5-ethylpyrido[3,2-b]indol-8-yl)-1,3,5-triazin-2-yl]methanamine (CID 171509587) is [4,6-bis(5-ethylpyrido[3,2-b]indol-8-yl)-1,3,5-triazin-2-yl]methanamine.
What is the SMILES notation for [4,6-bis(5-ethylpyrido[3,2-b]indol-8-yl)-1,3,5-triazin-2-yl]methanamine?
The canonical SMILES for [4,6-bis(5-ethylpyrido[3,2-b]indol-8-yl)-1,3,5-triazin-2-yl]methanamine is CCn1c2ccc(-c3nc(CN)nc(-c4ccc5c(c4)c4ncccc4n5CC)n3)cc2c2ncccc21.
What is the InChIKey of [4,6-bis(5-ethylpyrido[3,2-b]indol-8-yl)-1,3,5-triazin-2-yl]methanamine?
The InChIKey is XYOZIOSIHOIWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N8/c1-3-37-22-11-9-18(15-20(22)27-24(37)7-5-13-32-27)29-34-26(17-31)35-30(36-29)19-10-12-23-21(16-19)28-25(38(23)4-2)8-6-14-33-28/h5-16H,3-4,17,31H2,1-2H3.
What are the key properties of [4,6-bis(5-ethylpyrido[3,2-b]indol-8-yl)-1,3,5-triazin-2-yl]methanamine?
[4,6-bis(5-ethylpyrido[3,2-b]indol-8-yl)-1,3,5-triazin-2-yl]methanamine has a molecular weight of 498.59 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(5-ethylpyrido[3,2-b]indol-8-yl)-1,3,5-triazin-2-yl]methanamine is sourced from PubChem (CID 171509587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).