12-[8-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

C61H35N5O — CID 167348090

About 12-[8-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

12-[8-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (PubChem CID 167348090) has the molecular formula C61H35N5O and a molecular weight of 853.99 g/mol. Its IUPAC name is 12-[8-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

Molecular Properties

• Compound Name: 12-[8-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
• PubChem CID: 167348090
• Molecular Formula: C61H35N5O
• Molecular Weight: 853.99 g/mol
• Exact Mass: 853.28
• IUPAC Name: 12-[8-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
• SMILES: c1ccc2cc3c(cc2c1)c1c2ccccc2ccc1n3-c1c(-c2nc(-c3cccc4ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)ccc2oc3c4ccccc4ccc3c12
• InChI: InChI=1S/C61H35N5O/c1-2-18-40-35-53-49(34-39(40)17-1)55-42-21-7-4-15-37(42)29-32-52(55)65(53)57-48(31-33-54-56(57)47-30-28-38-16-5-8-22-43(38)58(47)67-54)60-62-59(46-25-13-19-36-14-3-6-20-41(36)46)63-61(64-60)66-50-26-11-9-23-44(50)45-24-10-12-27-51(45)66/h1-35H
• InChIKey: GXFBZXDKRBYMPR-UHFFFAOYSA-N
• XLogP: 15.91
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.99
LogP ≤ 5	15.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 12-[8-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The IUPAC name of 12-[8-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (CID 167348090) is 12-[8-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

What is the SMILES notation for 12-[8-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The canonical SMILES for 12-[8-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is c1ccc2cc3c(cc2c1)c1c2ccccc2ccc1n3-c1c(-c2nc(-c3cccc4ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)ccc2oc3c4ccccc4ccc3c12.

What is the InChIKey of 12-[8-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The InChIKey is GXFBZXDKRBYMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H35N5O/c1-2-18-40-35-53-49(34-39(40)17-1)55-42-21-7-4-15-37(42)29-32-52(55)65(53)57-48(31-33-54-56(57)47-30-28-38-16-5-8-22-43(38)58(47)67-54)60-62-59(46-25-13-19-36-14-3-6-20-41(36)46)63-61(64-60)66-50-26-11-9-23-44(50)45-24-10-12-27-51(45)66/h1-35H.

What are the key properties of 12-[8-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

12-[8-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene has a molecular weight of 853.99 g/mol, XLogP of 15.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[8-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is sourced from PubChem (CID 167348090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).