16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene

C50H29N7 — CID 171748625

About 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene

16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene (PubChem CID 171748625) has the molecular formula C50H29N7 and a molecular weight of 727.83 g/mol. Its IUPAC name is 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene.

Molecular Properties

• Compound Name: 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
• PubChem CID: 171748625
• Molecular Formula: C50H29N7
• Molecular Weight: 727.83 g/mol
• Exact Mass: 727.25
• IUPAC Name: 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
• SMILES: c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)c(-c2ccc3c4cccc5c6cccnc6n(c3c2)c45)c1
• InChI: InChI=1S/C50H29N7/c1-2-18-39(31(13-1)30-26-27-36-37-19-11-20-38-40-21-12-28-51-48(40)57(46(37)38)45(36)29-30)47-52-49(55-41-22-7-3-14-32(41)33-15-4-8-23-42(33)55)54-50(53-47)56-43-24-9-5-16-34(43)35-17-6-10-25-44(35)56/h1-29H
• InChIKey: HZAISIGMYBUWTQ-UHFFFAOYSA-N
• XLogP: 11.94
• TPSA: 65.83 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.83
LogP ≤ 5	11.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?

The IUPAC name of 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene (CID 171748625) is 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene.

What is the SMILES notation for 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?

The canonical SMILES for 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene is c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)c(-c2ccc3c4cccc5c6cccnc6n(c3c2)c45)c1.

What is the InChIKey of 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?

The InChIKey is HZAISIGMYBUWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N7/c1-2-18-39(31(13-1)30-26-27-36-37-19-11-20-38-40-21-12-28-51-48(40)57(46(37)38)45(36)29-30)47-52-49(55-41-22-7-3-14-32(41)33-15-4-8-23-42(33)55)54-50(53-47)56-43-24-9-5-16-34(43)35-17-6-10-25-44(35)56/h1-29H.

What are the key properties of 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene?

16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene has a molecular weight of 727.83 g/mol, XLogP of 11.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene is sourced from PubChem (CID 171748625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).