9-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

C48H32N4O2 — CID 138573376

About 9-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

9-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 138573376) has the molecular formula C48H32N4O2 and a molecular weight of 696.81 g/mol. Its IUPAC name is 9-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 138573376
• Molecular Formula: C48H32N4O2
• Molecular Weight: 696.81 g/mol
• Exact Mass: 696.25
• IUPAC Name: 9-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc3c(cc21)Oc1cc(-c2nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n2)ccc1O3
• InChI: InChI=1S/C48H32N4O2/c1-48(2)37-17-9-6-14-33(37)36-27-43-44(28-38(36)48)54-42-26-31(22-25-41(42)53-43)47-50-45(29-12-4-3-5-13-29)49-46(51-47)30-20-23-32(24-21-30)52-39-18-10-7-15-34(39)35-16-8-11-19-40(35)52/h3-28H,1-2H3
• InChIKey: PCEVGJPNLGLMFX-UHFFFAOYSA-N
• XLogP: 12.17
• TPSA: 62.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.81
LogP ≤ 5	12.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

The IUPAC name of 9-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 138573376) is 9-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

What is the SMILES notation for 9-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

The canonical SMILES for 9-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)Oc1cc(-c2nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n2)ccc1O3.

What is the InChIKey of 9-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

The InChIKey is PCEVGJPNLGLMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4O2/c1-48(2)37-17-9-6-14-33(37)36-27-43-44(28-38(36)48)54-42-26-31(22-25-41(42)53-43)47-50-45(29-12-4-3-5-13-29)49-46(51-47)30-20-23-32(24-21-30)52-39-18-10-7-15-34(39)35-16-8-11-19-40(35)52/h3-28H,1-2H3.

What are the key properties of 9-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

9-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 696.81 g/mol, XLogP of 12.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 138573376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).