10-[4-phenyl-6-[4-[3-(8-phenyl-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene

C58H33N9O2 — CID 144848531

About 10-[4-phenyl-6-[4-[3-(8-phenyl-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene

10-[4-phenyl-6-[4-[3-(8-phenyl-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene (PubChem CID 144848531) has the molecular formula C58H33N9O2 and a molecular weight of 887.96 g/mol. Its IUPAC name is 10-[4-phenyl-6-[4-[3-(8-phenyl-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene.

Molecular Properties

• Compound Name: 10-[4-phenyl-6-[4-[3-(8-phenyl-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene
• PubChem CID: 144848531
• Molecular Formula: C58H33N9O2
• Molecular Weight: 887.96 g/mol
• Exact Mass: 887.28
• IUPAC Name: 10-[4-phenyl-6-[4-[3-(8-phenyl-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6c7c7ncccc7n6-c6ccccc6)ccc54)cc3)nc(-n3c4cnccc4c4c5ccncc5oc43)n2)cc1
• InChI: InChI=1S/C58H33N9O2/c1-3-11-34(12-4-1)54-62-55(64-58(63-54)67-48-32-59-29-26-41(48)50-42-27-30-60-33-49(42)68-56(50)67)35-20-23-38(24-21-35)65-45-18-8-7-15-40(45)44-31-36(22-25-46(44)65)39-16-9-17-43-51-52-47(19-10-28-61-52)66(57(51)69-53(39)43)37-13-5-2-6-14-37/h1-33H
• InChIKey: MHMVIEUZDHGZOW-UHFFFAOYSA-N
• XLogP: 13.84
• TPSA: 118.41 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	887.96
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 10-[4-phenyl-6-[4-[3-(8-phenyl-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene?

The IUPAC name of 10-[4-phenyl-6-[4-[3-(8-phenyl-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene (CID 144848531) is 10-[4-phenyl-6-[4-[3-(8-phenyl-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene.

What is the SMILES notation for 10-[4-phenyl-6-[4-[3-(8-phenyl-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene?

The canonical SMILES for 10-[4-phenyl-6-[4-[3-(8-phenyl-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6c7c7ncccc7n6-c6ccccc6)ccc54)cc3)nc(-n3c4cnccc4c4c5ccncc5oc43)n2)cc1.

What is the InChIKey of 10-[4-phenyl-6-[4-[3-(8-phenyl-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene?

The InChIKey is MHMVIEUZDHGZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H33N9O2/c1-3-11-34(12-4-1)54-62-55(64-58(63-54)67-48-32-59-29-26-41(48)50-42-27-30-60-33-49(42)68-56(50)67)35-20-23-38(24-21-35)65-45-18-8-7-15-40(45)44-31-36(22-25-46(44)65)39-16-9-17-43-51-52-47(19-10-28-61-52)66(57(51)69-53(39)43)37-13-5-2-6-14-37/h1-33H.

What are the key properties of 10-[4-phenyl-6-[4-[3-(8-phenyl-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene?

10-[4-phenyl-6-[4-[3-(8-phenyl-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene has a molecular weight of 887.96 g/mol, XLogP of 13.84, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-phenyl-6-[4-[3-(8-phenyl-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene is sourced from PubChem (CID 144848531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).