8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole

C36H22N4O — CID 59307384

IUPAC8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole
SMILESC=Cc1ccc2c(c1)c1ncccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ncccc54)cc3c2c1
InChIInChI=1S/C36H22N4O/c1-2-22-11-14-30-28(19-22)36-32(10-6-18-38-36)40(30)24-13-16-34-27(21-24)26-20-23(12-15-33(26)41-34)39-29-8-4-3-7-25(29)35-31(39)9-5-17-37-35/h2-21H,1H2
InChIKeyZRMBHYPZMZPYQN-UHFFFAOYSA-N
MW526.60 g/mol
LogP9.21
Rot. Bonds3

About 8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole

8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole (PubChem CID 59307384) has the molecular formula C36H22N4O and a molecular weight of 526.60 g/mol. Its IUPAC name is 8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole.

Molecular Properties

Compound Name8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole
PubChem CID59307384
Molecular FormulaC36H22N4O
Molecular Weight526.60 g/mol
Exact Mass526.18
IUPAC Name8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole
SMILESC=Cc1ccc2c(c1)c1ncccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ncccc54)cc3c2c1
InChIInChI=1S/C36H22N4O/c1-2-22-11-14-30-28(19-22)36-32(10-6-18-38-36)40(30)24-13-16-34-27(21-24)26-20-23(12-15-33(26)41-34)39-29-8-4-3-7-25(29)35-31(39)9-5-17-37-35/h2-21H,1H2
InChIKeyZRMBHYPZMZPYQN-UHFFFAOYSA-N
XLogP9.21
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole with MolForge

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Related Compounds

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
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-[16-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-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]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59147537
7-prop-2-enoxy-5-[8-(7-prop-2-enoxypyrido[3,2-b]indol-5-yl)dibenzofuran-2-yl]pyrido[3,2-b]indole
CID 59561578
6-pyrido[3,2-b]indol-5-yl-[1]benzofuro[2,3-d]pyrimidine
CID 142281052
(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
8-[18-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59147280
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
8-[5-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 67952840
6,24-di(dibenzofuran-2-yl)-15-thia-6,11,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene
CID 118391196
3-(4-ethenylphenyl)-9-[8-[3-(4-ethenylphenyl)-6-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-6-(2-pyridin-2-ylphenyl)carbazole
CID 88853124
8-[18-(3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59147064

Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole?
The IUPAC name of 8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole (CID 59307384) is 8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole.
What is the SMILES notation for 8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole?
The canonical SMILES for 8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole is C=Cc1ccc2c(c1)c1ncccc1n2-c1ccc2oc3ccc(-n4c5ccccc5c5ncccc54)cc3c2c1.
What is the InChIKey of 8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole?
The InChIKey is ZRMBHYPZMZPYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4O/c1-2-22-11-14-30-28(19-22)36-32(10-6-18-38-36)40(30)24-13-16-34-27(21-24)26-20-23(12-15-33(26)41-34)39-29-8-4-3-7-25(29)35-31(39)9-5-17-37-35/h2-21H,1H2.
What are the key properties of 8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole?
8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole has a molecular weight of 526.60 g/mol, XLogP of 9.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole is sourced from PubChem (CID 59307384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).