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

C43H28N6 — CID 134274167

IUPAC5-[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
SMILESC=Cc1cc(C=C)cc(-n2c3ccc(-n4c5ccc(-n6c7ccccc7c7ncccc76)cc5c5ncccc54)cc3c3ncccc32)c1
InChIInChI=1S/C43H28N6/c1-3-27-22-28(4-2)24-31(23-27)49-37-18-16-30(26-34(37)43-40(49)14-9-21-46-43)48-36-17-15-29(25-33(36)42-39(48)13-8-20-45-42)47-35-11-6-5-10-32(35)41-38(47)12-7-19-44-41/h3-26H,1-2H2
InChIKeyHYTYHSNSLIOMEC-UHFFFAOYSA-N
MW628.74 g/mol
LogP10.45
Rot. Bonds5

About 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

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 (PubChem CID 134274167) has the molecular formula C43H28N6 and a molecular weight of 628.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID134274167
Molecular FormulaC43H28N6
Molecular Weight628.74 g/mol
Exact Mass628.24
IUPAC Name5-[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
SMILESC=Cc1cc(C=C)cc(-n2c3ccc(-n4c5ccc(-n6c7ccccc7c7ncccc76)cc5c5ncccc54)cc3c3ncccc32)c1
InChIInChI=1S/C43H28N6/c1-3-27-22-28(4-2)24-31(23-27)49-37-18-16-30(26-34(37)43-40(49)14-9-21-46-43)48-36-17-15-29(25-33(36)42-39(48)13-8-20-45-42)47-35-11-6-5-10-32(35)41-38(47)12-7-19-44-41/h3-26H,1-2H2
InChIKeyHYTYHSNSLIOMEC-UHFFFAOYSA-N
XLogP10.45
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.74
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole
CID 59307384
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-[4-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]phenyl]pyrido[3,2-b]indole
CID 147682919
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
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
5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole
CID 135131175
8-bromo-5-[3-(8-bromopyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 118000291
1-[3-[8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indol-5-yl]phenyl]tetrazole-5-thiol
CID 137305760
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
8-pyrido[3,2-b]indol-5-yl-5-[6-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)-9H-fluoren-1-yl]pyrido[3,2-b]indole
CID 144612460
8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole
CID 139496528
5-pyridin-3-ylpyrido[3,2-b]indole
CID 59459758

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1cc(C=C)cc(-n2c3ccc(-n4c5ccc(-n6c7ccccc7c7ncccc76)cc5c5ncccc54)cc3c3ncccc32)c1.
What is the InChIKey of 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?
The InChIKey is HYTYHSNSLIOMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N6/c1-3-27-22-28(4-2)24-31(23-27)49-37-18-16-30(26-34(37)43-40(49)14-9-21-46-43)48-36-17-15-29(25-33(36)42-39(48)13-8-20-45-42)47-35-11-6-5-10-32(35)41-38(47)12-7-19-44-41/h3-26H,1-2H2.
What are the key properties of 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?
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 has a molecular weight of 628.74 g/mol, XLogP of 10.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134274167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).