12-[8-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene

C67H39N5O — CID 155382643

About 12-[8-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene

12-[8-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene (PubChem CID 155382643) has the molecular formula C67H39N5O and a molecular weight of 930.08 g/mol. Its IUPAC name is 12-[8-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 12-[8-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
• PubChem CID: 155382643
• Molecular Formula: C67H39N5O
• Molecular Weight: 930.08 g/mol
• Exact Mass: 929.32
• IUPAC Name: 12-[8-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
• SMILES: c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6c5oc5ccc7ccc(-n8c9cc%10ccccc%10cc9c9ccc%10ccccc%10c98)cc7c56)n4)cc32)cc1
• InChI: InChI=1S/C67H39N5O/c1-2-19-46(20-3-1)71-58-27-11-10-23-50(58)51-33-30-45(38-59(51)71)65-68-66(53-24-12-18-40-14-6-8-21-48(40)53)70-67(69-65)55-26-13-25-54-62-56-39-47(32-28-42(56)31-35-61(62)73-64(54)55)72-60-37-44-17-5-4-16-43(44)36-57(60)52-34-29-41-15-7-9-22-49(41)63(52)72/h1-39H
• InChIKey: SNNKXMHZCMVPAD-UHFFFAOYSA-N
• XLogP: 17.58
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.08
LogP ≤ 5	17.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 12-[8-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?

The IUPAC name of 12-[8-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene (CID 155382643) is 12-[8-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene.

What is the SMILES notation for 12-[8-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?

The canonical SMILES for 12-[8-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene is c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6c5oc5ccc7ccc(-n8c9cc%10ccccc%10cc9c9ccc%10ccccc%10c98)cc7c56)n4)cc32)cc1.

What is the InChIKey of 12-[8-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?

The InChIKey is SNNKXMHZCMVPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H39N5O/c1-2-19-46(20-3-1)71-58-27-11-10-23-50(58)51-33-30-45(38-59(51)71)65-68-66(53-24-12-18-40-14-6-8-21-48(40)53)70-67(69-65)55-26-13-25-54-62-56-39-47(32-28-42(56)31-35-61(62)73-64(54)55)72-60-37-44-17-5-4-16-43(44)36-57(60)52-34-29-41-15-7-9-22-49(41)63(52)72/h1-39H.

What are the key properties of 12-[8-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?

12-[8-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene has a molecular weight of 930.08 g/mol, XLogP of 17.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[8-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene is sourced from PubChem (CID 155382643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).