8-[3,5-bis[8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C60H33N9O2 — CID 87766446

IUPAC8-[3,5-bis[8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc2c3ccncc3n(-c3cc(-c4ccc5oc6ccc(-n7c8cnccc8c8ccncc87)cc6c5c4)cc(-c4ccc5oc6ccc(-n7c8cnccc8c8ccncc87)cc6c5c4)c3)c2cn1
InChIInChI=1S/C60H33N9O2/c1-5-57-47(49-26-38(3-7-59(49)70-57)67-51-28-61-15-9-41(51)42-10-16-62-29-52(42)67)24-34(1)36-21-37(23-40(22-36)69-55-32-65-19-13-45(55)46-14-20-66-33-56(46)69)35-2-6-58-48(25-35)50-27-39(4-8-60(50)71-58)68-53-30-63-17-11-43(53)44-12-18-64-31-54(44)68/h1-33H
InChIKeyDCOVJAIOEKPNHY-UHFFFAOYSA-N
MW911.99 g/mol
LogP14.48
Rot. Bonds5

About 8-[3,5-bis[8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-[3,5-bis[8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 87766446) has the molecular formula C60H33N9O2 and a molecular weight of 911.99 g/mol. Its IUPAC name is 8-[3,5-bis[8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-[3,5-bis[8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID87766446
Molecular FormulaC60H33N9O2
Molecular Weight911.99 g/mol
Exact Mass911.28
IUPAC Name8-[3,5-bis[8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc2c3ccncc3n(-c3cc(-c4ccc5oc6ccc(-n7c8cnccc8c8ccncc87)cc6c5c4)cc(-c4ccc5oc6ccc(-n7c8cnccc8c8ccncc87)cc6c5c4)c3)c2cn1
InChIInChI=1S/C60H33N9O2/c1-5-57-47(49-26-38(3-7-59(49)70-57)67-51-28-61-15-9-41(51)42-10-16-62-29-52(42)67)24-34(1)36-21-37(23-40(22-36)69-55-32-65-19-13-45(55)46-14-20-66-33-56(46)69)35-2-6-58-48(25-35)50-27-39(4-8-60(50)71-58)68-53-30-63-17-11-43(53)44-12-18-64-31-54(44)68/h1-33H
InChIKeyDCOVJAIOEKPNHY-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 8-[3,5-bis[8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[3,5-bis[8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-[3,5-bis[8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 87766446) is 8-[3,5-bis[8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-[3,5-bis[8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-[3,5-bis[8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1cc2c3ccncc3n(-c3cc(-c4ccc5oc6ccc(-n7c8cnccc8c8ccncc87)cc6c5c4)cc(-c4ccc5oc6ccc(-n7c8cnccc8c8ccncc87)cc6c5c4)c3)c2cn1.
What is the InChIKey of 8-[3,5-bis[8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is DCOVJAIOEKPNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H33N9O2/c1-5-57-47(49-26-38(3-7-59(49)70-57)67-51-28-61-15-9-41(51)42-10-16-62-29-52(42)67)24-34(1)36-21-37(23-40(22-36)69-55-32-65-19-13-45(55)46-14-20-66-33-56(46)69)35-2-6-58-48(25-35)50-27-39(4-8-60(50)71-58)68-53-30-63-17-11-43(53)44-12-18-64-31-54(44)68/h1-33H.
What are the key properties of 8-[3,5-bis[8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-[3,5-bis[8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene 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 8-[3,5-bis[8-(5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 87766446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).