12-[10-[4-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene

C69H41N5O — CID 155042940

About 12-[10-[4-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene

12-[10-[4-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene (PubChem CID 155042940) has the molecular formula C69H41N5O and a molecular weight of 956.12 g/mol. Its IUPAC name is 12-[10-[4-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene.

Molecular Properties

• Compound Name: 12-[10-[4-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
• PubChem CID: 155042940
• Molecular Formula: C69H41N5O
• Molecular Weight: 956.12 g/mol
• Exact Mass: 955.33
• IUPAC Name: 12-[10-[4-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)nc(-c4cc(-n5c6cc7ccccc7cc6c6cc7ccccc7cc65)cc5c4oc4c6ccccc6ccc54)n3)cc2)cc1
• InChI: InChI=1S/C69H41N5O/c1-3-15-42(16-4-1)43-27-29-45(30-28-43)67-70-68(50-32-33-55-54-25-13-14-26-61(54)73(62(55)39-50)51-22-5-2-6-23-51)72-69(71-67)60-41-52(40-59-56-34-31-44-17-11-12-24-53(44)65(56)75-66(59)60)74-63-37-48-20-9-7-18-46(48)35-57(63)58-36-47-19-8-10-21-49(47)38-64(58)74/h1-41H
• InChIKey: SNLMFDSAIQUJMP-UHFFFAOYSA-N
• XLogP: 18.09
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	956.12
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 12-[10-[4-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?

The IUPAC name of 12-[10-[4-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene (CID 155042940) is 12-[10-[4-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene.

What is the SMILES notation for 12-[10-[4-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?

The canonical SMILES for 12-[10-[4-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene is c1ccc(-c2ccc(-c3nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)nc(-c4cc(-n5c6cc7ccccc7cc6c6cc7ccccc7cc65)cc5c4oc4c6ccccc6ccc54)n3)cc2)cc1.

What is the InChIKey of 12-[10-[4-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?

The InChIKey is SNLMFDSAIQUJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H41N5O/c1-3-15-42(16-4-1)43-27-29-45(30-28-43)67-70-68(50-32-33-55-54-25-13-14-26-61(54)73(62(55)39-50)51-22-5-2-6-23-51)72-69(71-67)60-41-52(40-59-56-34-31-44-17-11-12-24-53(44)65(56)75-66(59)60)74-63-37-48-20-9-7-18-46(48)35-57(63)58-36-47-19-8-10-21-49(47)38-64(58)74/h1-41H.

What are the key properties of 12-[10-[4-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?

12-[10-[4-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene has a molecular weight of 956.12 g/mol, XLogP of 18.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[10-[4-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene is sourced from PubChem (CID 155042940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).