3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C45H27N5 — CID 176879941

About 3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 176879941) has the molecular formula C45H27N5 and a molecular weight of 637.75 g/mol. Its IUPAC name is 3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

• Compound Name: 3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
• PubChem CID: 176879941
• Molecular Formula: C45H27N5
• Molecular Weight: 637.75 g/mol
• Exact Mass: 637.23
• IUPAC Name: 3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
• SMILES: c1ccc(-c2ccccc2-c2nc(-c3cccc4c5cccc6c7ccccc7n(c34)c65)nc(-n3c4ccccc4c4ccccc43)n2)cc1
• InChI: InChI=1S/C45H27N5/c1-2-14-28(15-3-1)29-16-4-5-20-36(29)43-46-44(48-45(47-43)49-38-25-9-6-17-30(38)31-18-7-10-26-39(31)49)37-24-13-23-35-34-22-12-21-33-32-19-8-11-27-40(32)50(41(33)34)42(35)37/h1-27H
• InChIKey: KRAIHGXOYMBLAK-UHFFFAOYSA-N
• XLogP: 11.12
• TPSA: 48.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.75
LogP ≤ 5	11.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

The IUPAC name of 3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 176879941) is 3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

What is the SMILES notation for 3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

The canonical SMILES for 3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is c1ccc(-c2ccccc2-c2nc(-c3cccc4c5cccc6c7ccccc7n(c34)c65)nc(-n3c4ccccc4c4ccccc43)n2)cc1.

What is the InChIKey of 3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

The InChIKey is KRAIHGXOYMBLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5/c1-2-14-28(15-3-1)29-16-4-5-20-36(29)43-46-44(48-45(47-43)49-38-25-9-6-17-30(38)31-18-7-10-26-39(31)49)37-24-13-23-35-34-22-12-21-33-32-19-8-11-27-40(32)50(41(33)34)42(35)37/h1-27H.

What are the key properties of 3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?

3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 637.75 g/mol, XLogP of 11.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-carbazol-9-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 176879941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).