5-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indole

C33H31N7 — CID 139496482

IUPAC5-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indole
SMILESCC(C)(C)c1nc(-n2c3ccc(-n4c5ccccc5c5ncccc54)cc3c3ncccc32)nc(C(C)(C)C)n1
InChIInChI=1S/C33H31N7/c1-32(2,3)29-36-30(33(4,5)6)38-31(37-29)40-24-16-15-20(19-22(24)28-26(40)14-10-18-35-28)39-23-12-8-7-11-21(23)27-25(39)13-9-17-34-27/h7-19H,1-6H3
InChIKeyLUFXJQZSLSNTTL-UHFFFAOYSA-N
MW525.66 g/mol
LogP7.45
Rot. Bonds2

About 5-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indole

5-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indole (PubChem CID 139496482) has the molecular formula C33H31N7 and a molecular weight of 525.66 g/mol. Its IUPAC name is 5-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indole.

Molecular Properties

Compound Name5-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indole
PubChem CID139496482
Molecular FormulaC33H31N7
Molecular Weight525.66 g/mol
Exact Mass525.26
IUPAC Name5-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indole
SMILESCC(C)(C)c1nc(-n2c3ccc(-n4c5ccccc5c5ncccc54)cc3c3ncccc32)nc(C(C)(C)C)n1
InChIInChI=1S/C33H31N7/c1-32(2,3)29-36-30(33(4,5)6)38-31(37-29)40-24-16-15-20(19-22(24)28-26(40)14-10-18-35-28)39-23-12-8-7-11-21(23)27-25(39)13-9-17-34-27/h7-19H,1-6H3
InChIKeyLUFXJQZSLSNTTL-UHFFFAOYSA-N
XLogP7.45
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.66
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indole with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole
CID 67988496
5-(16-pyrido[3,2-b]indol-5-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)pyrido[3,2-b]indole
CID 59147166
8-[4-[4-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118517438
5-[3,5-bis(ethenyl)phenyl]-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole
CID 134274167
8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole
CID 59307384
5-[4-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]phenyl]pyrido[3,2-b]indole
CID 147682919
9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;9-(4-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 161196480
5-[4,6-di(imidazol-1-yl)-1,3,5-triazin-2-yl]pyrido[3,2-b]indole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-phenyl-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole
CID 159516178
8-[5-[5-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-3-pyridinyl]pyrido[3,2-b]indol-8-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118517417
5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole
CID 135131175
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
(Z)-2-[1-[5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indol-8-yl]pyrrolo[3,2-c]pyridin-2-yl]ethenamine
CID 144612620

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indole?
The IUPAC name of 5-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indole (CID 139496482) is 5-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indole.
What is the SMILES notation for 5-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indole?
The canonical SMILES for 5-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indole is CC(C)(C)c1nc(-n2c3ccc(-n4c5ccccc5c5ncccc54)cc3c3ncccc32)nc(C(C)(C)C)n1.
What is the InChIKey of 5-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indole?
The InChIKey is LUFXJQZSLSNTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N7/c1-32(2,3)29-36-30(33(4,5)6)38-31(37-29)40-24-16-15-20(19-22(24)28-26(40)14-10-18-35-28)39-23-12-8-7-11-21(23)27-25(39)13-9-17-34-27/h7-19H,1-6H3.
What are the key properties of 5-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indole?
5-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indole has a molecular weight of 525.66 g/mol, XLogP of 7.45, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indole is sourced from PubChem (CID 139496482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).