5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole

C54H30N8O2 — CID 58099660

IUPAC5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole
SMILESc1cncc(-c2cc(-n3c4ccccc4c4nccnc43)c3oc4ccc(-c5ccc6oc7c(-c8cccnc8)cc(-n8c9ccccc9c9nccnc98)cc7c6c5)cc4c3c2)c1
InChIInChI=1S/C54H30N8O2/c1-3-11-44-37(9-1)49-53(59-21-19-57-49)61(44)36-27-39(34-8-6-18-56-30-34)51-43(28-36)41-24-32(13-15-47(41)63-51)31-14-16-48-40(23-31)42-25-35(33-7-5-17-55-29-33)26-46(52(42)64-48)62-45-12-4-2-10-38(45)50-54(62)60-22-20-58-50/h1-30H
InChIKeyUPVIPHOZMNWBSM-UHFFFAOYSA-N
MW822.89 g/mol
LogP13.05
Rot. Bonds5

About 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole

5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole (PubChem CID 58099660) has the molecular formula C54H30N8O2 and a molecular weight of 822.89 g/mol. Its IUPAC name is 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole.

Molecular Properties

Compound Name5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole
PubChem CID58099660
Molecular FormulaC54H30N8O2
Molecular Weight822.89 g/mol
Exact Mass822.25
IUPAC Name5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole
SMILESc1cncc(-c2cc(-n3c4ccccc4c4nccnc43)c3oc4ccc(-c5ccc6oc7c(-c8cccnc8)cc(-n8c9ccccc9c9nccnc98)cc7c6c5)cc4c3c2)c1
InChIInChI=1S/C54H30N8O2/c1-3-11-44-37(9-1)49-53(59-21-19-57-49)61(44)36-27-39(34-8-6-18-56-30-34)51-43(28-36)41-24-32(13-15-47(41)63-51)31-14-16-48-40(23-31)42-25-35(33-7-5-17-55-29-33)26-46(52(42)64-48)62-45-12-4-2-10-38(45)50-54(62)60-22-20-58-50/h1-30H
InChIKeyUPVIPHOZMNWBSM-UHFFFAOYSA-N
XLogP13.05
TPSA113.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.89
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole with MolForge

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Related Compounds

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2,3-Bis[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]butanedinitrile
CID 69159156
7-[1-[5-[1-[8-Tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-2-methylpropan-2-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-2-methylpropan-2-yl]-2-pyridin-3-yl-1,3-benzoxazole
CID 139382904
4-[4-[8-[4-[2-[4-[3-(6-Fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridin-8-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 142336487
3-[2,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)pyridin-4-yl]-5-(trifluoromethyl)benzonitrile
CID 146393977
12-[5-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-[1]benzofuro[2,3-a]carbazole
CID 146394099
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-methylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;9-[4-(2,6-difluorophenyl)-2-methyl-3-(3-methylcarbazol-9-yl)phenyl]-2-methylcarbazole;9-[4-(3,5-difluorophenyl)-3-(2-pyrazin-2-ylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-2-pyrimidin-2-ylcarbazole
CID 157608574
5-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[3-methyl-4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole;5-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole;bis(8-[4-[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)
CID 160828696
15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-oxa-17,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;12-phenyl-17-oxa-9-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1,3,5,7,9,11,13,15,18,20,22,24-dodecaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 161212579
3-(3-Carbazol-9-ylphenyl)-9-phenylcarbazole;5-[4-[1,1,1,3,3,3-hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[3-methyl-4-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole;5-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;9-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]pyrido[3,4-b]indole;8-[4-[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
CID 161979872
5-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[3-methyl-4-(2-methyl-4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;5-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)pyrido[3,2-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole;5-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;8-[4-[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
CID 162253280

Frequently Asked Questions

What is the IUPAC name of 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole?
The IUPAC name of 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole (CID 58099660) is 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole.
What is the SMILES notation for 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole?
The canonical SMILES for 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole is c1cncc(-c2cc(-n3c4ccccc4c4nccnc43)c3oc4ccc(-c5ccc6oc7c(-c8cccnc8)cc(-n8c9ccccc9c9nccnc98)cc7c6c5)cc4c3c2)c1.
What is the InChIKey of 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole?
The InChIKey is UPVIPHOZMNWBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30N8O2/c1-3-11-44-37(9-1)49-53(59-21-19-57-49)61(44)36-27-39(34-8-6-18-56-30-34)51-43(28-36)41-24-32(13-15-47(41)63-51)31-14-16-48-40(23-31)42-25-35(33-7-5-17-55-29-33)26-46(52(42)64-48)62-45-12-4-2-10-38(45)50-54(62)60-22-20-58-50/h1-30H.
What are the key properties of 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole?
5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole has a molecular weight of 822.89 g/mol, XLogP of 13.05, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(6-pyrazino[2,3-b]indol-5-yl-8-pyridin-3-yldibenzofuran-2-yl)-4-pyridin-3-yldibenzofuran-2-yl]pyrazino[2,3-b]indole is sourced from PubChem (CID 58099660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).