12-[4-(9H-carbazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene

C41H25N5 — CID 155789211

About 12-[4-(9H-carbazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene

12-[4-(9H-carbazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene (PubChem CID 155789211) has the molecular formula C41H25N5 and a molecular weight of 587.69 g/mol. Its IUPAC name is 12-[4-(9H-carbazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene.

Molecular Properties

• Compound Name: 12-[4-(9H-carbazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
• PubChem CID: 155789211
• Molecular Formula: C41H25N5
• Molecular Weight: 587.69 g/mol
• Exact Mass: 587.21
• IUPAC Name: 12-[4-(9H-carbazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)[nH]c3ccccc34)nc(N3c4cc5ccccc5cc4-c4cccc5cccc3c45)n2)cc1
• InChI: InChI=1S/C41H25N5/c1-2-10-26(11-3-1)39-43-40(29-20-21-31-30-16-6-7-18-34(30)42-35(31)23-29)45-41(44-39)46-36-19-9-15-25-14-8-17-32(38(25)36)33-22-27-12-4-5-13-28(27)24-37(33)46/h1-24,42H
• InChIKey: JOARUQLMMQZGEB-UHFFFAOYSA-N
• XLogP: 10.60
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.69
LogP ≤ 5	10.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 12-[4-(9H-carbazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene?

The IUPAC name of 12-[4-(9H-carbazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene (CID 155789211) is 12-[4-(9H-carbazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene.

What is the SMILES notation for 12-[4-(9H-carbazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene?

The canonical SMILES for 12-[4-(9H-carbazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene is c1ccc(-c2nc(-c3ccc4c(c3)[nH]c3ccccc34)nc(N3c4cc5ccccc5cc4-c4cccc5cccc3c45)n2)cc1.

What is the InChIKey of 12-[4-(9H-carbazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene?

The InChIKey is JOARUQLMMQZGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5/c1-2-10-26(11-3-1)39-43-40(29-20-21-31-30-16-6-7-18-34(30)42-35(31)23-29)45-41(44-39)46-36-19-9-15-25-14-8-17-32(38(25)36)33-22-27-12-4-5-13-28(27)24-37(33)46/h1-24,42H.

What are the key properties of 12-[4-(9H-carbazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene?

12-[4-(9H-carbazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene has a molecular weight of 587.69 g/mol, XLogP of 10.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-(9H-carbazol-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene is sourced from PubChem (CID 155789211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).