5-phenyl-8-[6-[9-[6-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]pyrimido[4,5-b]indol-6-yl]dibenzofuran-2-yl]pyrimido[5,4-b]indole

C60H33N9O2 — CID 58099847

IUPAC5-phenyl-8-[6-[9-[6-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]pyrimido[4,5-b]indol-6-yl]dibenzofuran-2-yl]pyrimido[5,4-b]indole
SMILESc1ccc(-n2c3ccc(-c4ccc5oc6c(-c7ccc8c(c7)c7cncnc7n8-c7ccc8oc9c(-n%10c%11cnccc%11c%11ccncc%11%10)cccc9c8c7)cccc6c5c4)cc3c3ncncc32)cc1
InChIInChI=1S/C60H33N9O2/c1-2-6-37(7-3-1)67-50-16-12-34(25-47(50)57-54(67)31-64-32-65-57)35-14-18-55-45(24-35)42-9-4-8-39(58(42)70-55)36-13-17-49-44(26-36)48-28-63-33-66-60(48)68(49)38-15-19-56-46(27-38)43-10-5-11-51(59(43)71-56)69-52-29-61-22-20-40(52)41-21-23-62-30-53(41)69/h1-33H
InChIKeyUJQMSXDWLSUTSM-UHFFFAOYSA-N
MW911.99 g/mol
LogP14.48
Rot. Bonds5

About 5-phenyl-8-[6-[9-[6-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]pyrimido[4,5-b]indol-6-yl]dibenzofuran-2-yl]pyrimido[5,4-b]indole

5-phenyl-8-[6-[9-[6-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]pyrimido[4,5-b]indol-6-yl]dibenzofuran-2-yl]pyrimido[5,4-b]indole (PubChem CID 58099847) has the molecular formula C60H33N9O2 and a molecular weight of 911.99 g/mol. Its IUPAC name is 5-phenyl-8-[6-[9-[6-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]pyrimido[4,5-b]indol-6-yl]dibenzofuran-2-yl]pyrimido[5,4-b]indole.

Molecular Properties

Compound Name5-phenyl-8-[6-[9-[6-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]pyrimido[4,5-b]indol-6-yl]dibenzofuran-2-yl]pyrimido[5,4-b]indole
PubChem CID58099847
Molecular FormulaC60H33N9O2
Molecular Weight911.99 g/mol
Exact Mass911.28
IUPAC Name5-phenyl-8-[6-[9-[6-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]pyrimido[4,5-b]indol-6-yl]dibenzofuran-2-yl]pyrimido[5,4-b]indole
SMILESc1ccc(-n2c3ccc(-c4ccc5oc6c(-c7ccc8c(c7)c7cncnc7n8-c7ccc8oc9c(-n%10c%11cnccc%11c%11ccncc%11%10)cccc9c8c7)cccc6c5c4)cc3c3ncncc32)cc1
InChIInChI=1S/C60H33N9O2/c1-2-6-37(7-3-1)67-50-16-12-34(25-47(50)57-54(67)31-64-32-65-57)35-14-18-55-45(24-35)42-9-4-8-39(58(42)70-55)36-13-17-49-44(26-36)48-28-63-33-66-60(48)68(49)38-15-19-56-46(27-38)43-10-5-11-51(59(43)71-56)69-52-29-61-22-20-40(52)41-21-23-62-30-53(41)69/h1-33H
InChIKeyUJQMSXDWLSUTSM-UHFFFAOYSA-N
XLogP14.48
TPSA118.41 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500911.99
LogP ≤ 514.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-phenyl-8-[6-[9-[6-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]pyrimido[4,5-b]indol-6-yl]dibenzofuran-2-yl]pyrimido[5,4-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-8-[6-[9-[6-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]pyrimido[4,5-b]indol-6-yl]dibenzofuran-2-yl]pyrimido[5,4-b]indole?
The IUPAC name of 5-phenyl-8-[6-[9-[6-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]pyrimido[4,5-b]indol-6-yl]dibenzofuran-2-yl]pyrimido[5,4-b]indole (CID 58099847) is 5-phenyl-8-[6-[9-[6-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]pyrimido[4,5-b]indol-6-yl]dibenzofuran-2-yl]pyrimido[5,4-b]indole.
What is the SMILES notation for 5-phenyl-8-[6-[9-[6-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]pyrimido[4,5-b]indol-6-yl]dibenzofuran-2-yl]pyrimido[5,4-b]indole?
The canonical SMILES for 5-phenyl-8-[6-[9-[6-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]pyrimido[4,5-b]indol-6-yl]dibenzofuran-2-yl]pyrimido[5,4-b]indole is c1ccc(-n2c3ccc(-c4ccc5oc6c(-c7ccc8c(c7)c7cncnc7n8-c7ccc8oc9c(-n%10c%11cnccc%11c%11ccncc%11%10)cccc9c8c7)cccc6c5c4)cc3c3ncncc32)cc1.
What is the InChIKey of 5-phenyl-8-[6-[9-[6-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]pyrimido[4,5-b]indol-6-yl]dibenzofuran-2-yl]pyrimido[5,4-b]indole?
The InChIKey is UJQMSXDWLSUTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H33N9O2/c1-2-6-37(7-3-1)67-50-16-12-34(25-47(50)57-54(67)31-64-32-65-57)35-14-18-55-45(24-35)42-9-4-8-39(58(42)70-55)36-13-17-49-44(26-36)48-28-63-33-66-60(48)68(49)38-15-19-56-46(27-38)43-10-5-11-51(59(43)71-56)69-52-29-61-22-20-40(52)41-21-23-62-30-53(41)69/h1-33H.
What are the key properties of 5-phenyl-8-[6-[9-[6-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]pyrimido[4,5-b]indol-6-yl]dibenzofuran-2-yl]pyrimido[5,4-b]indole?
5-phenyl-8-[6-[9-[6-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]pyrimido[4,5-b]indol-6-yl]dibenzofuran-2-yl]pyrimido[5,4-b]indole has a molecular weight of 911.99 g/mol, XLogP of 14.48, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-8-[6-[9-[6-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]pyrimido[4,5-b]indol-6-yl]dibenzofuran-2-yl]pyrimido[5,4-b]indole is sourced from PubChem (CID 58099847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).