13-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene

C54H31N5O2 — CID 177085895

About 13-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene

13-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene (PubChem CID 177085895) has the molecular formula C54H31N5O2 and a molecular weight of 781.88 g/mol. Its IUPAC name is 13-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene.

Molecular Properties

• Compound Name: 13-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene
• PubChem CID: 177085895
• Molecular Formula: C54H31N5O2
• Molecular Weight: 781.88 g/mol
• Exact Mass: 781.25
• IUPAC Name: 13-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene
• SMILES: c1ccc(-c2nc3c(ccc4oc5c(-c6nc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)nc(-c7ccc8ccccc8c7)n6)cc6ccccc6c5c43)o2)cc1
• InChI: InChI=1S/C54H31N5O2/c1-2-14-33(15-3-1)54-55-49-46(61-54)28-27-45-48(49)47-39-20-7-6-17-35(39)31-42(50(47)60-45)53-57-51(56-52(58-53)37-26-25-32-13-4-5-16-34(32)29-37)36-18-12-19-38(30-36)59-43-23-10-8-21-40(43)41-22-9-11-24-44(41)59/h1-31H
• InChIKey: JAUGLTJBYHELNB-UHFFFAOYSA-N
• XLogP: 13.98
• TPSA: 82.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.88
LogP ≤ 5	13.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 13-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene?

The IUPAC name of 13-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene (CID 177085895) is 13-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene.

What is the SMILES notation for 13-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene?

The canonical SMILES for 13-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene is c1ccc(-c2nc3c(ccc4oc5c(-c6nc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)nc(-c7ccc8ccccc8c7)n6)cc6ccccc6c5c43)o2)cc1.

What is the InChIKey of 13-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene?

The InChIKey is JAUGLTJBYHELNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31N5O2/c1-2-14-33(15-3-1)54-55-49-46(61-54)28-27-45-48(49)47-39-20-7-6-17-35(39)31-42(50(47)60-45)53-57-51(56-52(58-53)37-26-25-32-13-4-5-16-34(32)29-37)36-18-12-19-38(30-36)59-43-23-10-8-21-40(43)41-22-9-11-24-44(41)59/h1-31H.

What are the key properties of 13-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene?

13-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene has a molecular weight of 781.88 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 13-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene is sourced from PubChem (CID 177085895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).