10-[9-[4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C46H29N5 — CID 118547604

About 10-[9-[4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

10-[9-[4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 118547604) has the molecular formula C46H29N5 and a molecular weight of 651.77 g/mol. Its IUPAC name is 10-[9-[4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

• Compound Name: 10-[9-[4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• PubChem CID: 118547604
• Molecular Formula: C46H29N5
• Molecular Weight: 651.77 g/mol
• Exact Mass: 651.24
• IUPAC Name: 10-[9-[4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• SMILES: Cc1nc(-c2ccccc2)nc(-c2ccc(-n3c4ccccc4c4cccc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)c43)cc2)n1
• InChI: InChI=1S/C46H29N5/c1-28-47-45(29-12-3-2-4-13-29)49-46(48-28)30-22-24-32(25-23-30)50-40-19-8-5-14-34(40)37-18-11-17-33(43(37)50)31-26-38-35-15-6-9-20-41(35)51-42-21-10-7-16-36(42)39(27-31)44(38)51/h2-27H,1H3
• InChIKey: VXBMPJNRIKIAAS-UHFFFAOYSA-N
• XLogP: 11.43
• TPSA: 48.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.77
LogP ≤ 5	11.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-[9-[4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The IUPAC name of 10-[9-[4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 118547604) is 10-[9-[4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

What is the SMILES notation for 10-[9-[4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The canonical SMILES for 10-[9-[4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is Cc1nc(-c2ccccc2)nc(-c2ccc(-n3c4ccccc4c4cccc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)c43)cc2)n1.

What is the InChIKey of 10-[9-[4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The InChIKey is VXBMPJNRIKIAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N5/c1-28-47-45(29-12-3-2-4-13-29)49-46(48-28)30-22-24-32(25-23-30)50-40-19-8-5-14-34(40)37-18-11-17-33(43(37)50)31-26-38-35-15-6-9-20-41(35)51-42-21-10-7-16-36(42)39(27-31)44(38)51/h2-27H,1H3.

What are the key properties of 10-[9-[4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

10-[9-[4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 651.77 g/mol, XLogP of 11.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[9-[4-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 118547604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).