14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C57H35N5O — CID 155006702

About 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 155006702) has the molecular formula C57H35N5O and a molecular weight of 805.94 g/mol. Its IUPAC name is 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
• PubChem CID: 155006702
• Molecular Formula: C57H35N5O
• Molecular Weight: 805.94 g/mol
• Exact Mass: 805.28
• IUPAC Name: 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
• SMILES: c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)oc2ccc4c(c5ccccc5n4-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c23)cc1
• InChI: InChI=1S/C57H35N5O/c1-4-15-36(16-5-1)39-27-30-49-46(34-39)43-23-10-12-25-47(43)61(49)42-28-29-45-52(35-42)63-51-32-31-50-53(54(45)51)44-24-11-13-26-48(44)62(50)41-22-14-21-40(33-41)57-59-55(37-17-6-2-7-18-37)58-56(60-57)38-19-8-3-9-20-38/h1-35H
• InChIKey: HQHKDDHQWAFBPC-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.94
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The IUPAC name of 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 155006702) is 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

What is the SMILES notation for 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The canonical SMILES for 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)oc2ccc4c(c5ccccc5n4-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c23)cc1.

What is the InChIKey of 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The InChIKey is HQHKDDHQWAFBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O/c1-4-15-36(16-5-1)39-27-30-49-46(34-39)43-23-10-12-25-47(43)61(49)42-28-29-45-52(35-42)63-51-32-31-50-53(54(45)51)44-24-11-13-26-48(44)62(50)41-22-14-21-40(33-41)57-59-55(37-17-6-2-7-18-37)58-56(60-57)38-19-8-3-9-20-38/h1-35H.

What are the key properties of 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 805.94 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 155006702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).