8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C45H25N5O2 — CID 58099526

IUPAC8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3cnccc3n4-c3cccc4c3oc3c(-n5c6ccncc6c6cnccc65)cccc34)cc12
InChIInChI=1S/C45H25N5O2/c1-2-10-42-28(5-1)32-22-27(12-14-43(32)51-42)26-11-13-36-31(21-26)33-23-46-18-15-37(33)49(36)40-8-3-6-29-30-7-4-9-41(45(30)52-44(29)40)50-38-16-19-47-24-34(38)35-25-48-20-17-39(35)50/h1-25H
InChIKeyPOKYFFBMKDSWMB-UHFFFAOYSA-N
MW667.73 g/mol
LogP11.53
Rot. Bonds3

About 8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 58099526) has the molecular formula C45H25N5O2 and a molecular weight of 667.73 g/mol. Its IUPAC name is 8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID58099526
Molecular FormulaC45H25N5O2
Molecular Weight667.73 g/mol
Exact Mass667.20
IUPAC Name8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3cnccc3n4-c3cccc4c3oc3c(-n5c6ccncc6c6cnccc65)cccc34)cc12
InChIInChI=1S/C45H25N5O2/c1-2-10-42-28(5-1)32-22-27(12-14-43(32)51-42)26-11-13-36-31(21-26)33-23-46-18-15-37(33)49(36)40-8-3-6-29-30-7-4-9-41(45(30)52-44(29)40)50-38-16-19-47-24-34(38)35-25-48-20-17-39(35)50/h1-25H
InChIKeyPOKYFFBMKDSWMB-UHFFFAOYSA-N
XLogP11.53
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.73
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905618
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
8-dibenzofuran-2-yl-5-[3-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)-1-benzothiophen-5-yl]pyrido[4,3-b]indole
CID 90251052
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568
3-dibenzofuran-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 146335728
9-dibenzofuran-2-yl-3-[3-(3-phenylphenyl)phenyl]carbazole;3,6-diphenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole;3-[3-(3-phenylphenyl)phenyl]-9-[8-[3-[3-(3-phenylphenyl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 158273380
4-(3,6-dipyridin-4-ylcarbazol-9-yl)chromeno[3,2-b]xanthene-12,14-dione
CID 164765230
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652
9-(18-pyrido[3,4-b]indol-9-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-8-yl)pyrido[3,4-b]indole
CID 59147045
5-[2-carbazol-9-yl-4-dibenzofuran-2-yl-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole;9-phenyl-3-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]carbazole
CID 160655506

Frequently Asked Questions

What is the IUPAC name of 8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 58099526) is 8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3cnccc3n4-c3cccc4c3oc3c(-n5c6ccncc6c6cnccc65)cccc34)cc12.
What is the InChIKey of 8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is POKYFFBMKDSWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5O2/c1-2-10-42-28(5-1)32-22-27(12-14-43(32)51-42)26-11-13-36-31(21-26)33-23-46-18-15-37(33)49(36)40-8-3-6-29-30-7-4-9-41(45(30)52-44(29)40)50-38-16-19-47-24-34(38)35-25-48-20-17-39(35)50/h1-25H.
What are the key properties of 8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 667.73 g/mol, XLogP of 11.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 58099526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).