12,12-dimethyl-11-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole;9-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole

C144H88N14O3 — CID 160849742

IUPAC12,12-dimethyl-11-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole;9-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccc6c(ccc7oc8ccccc8c76)c5)n4)c3c21.c1ccc(-c2nc(-c3ccc4c(ccc5oc6ccccc6c54)c3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)n2)cc1.c1ccc(-c2nc(-c3ccc4c(ccc5oc6ccccc6c54)c3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1
InChIInChI=1S/2C49H29N5O.C46H30N4O/c1-3-13-30(14-4-1)47-50-48(32-23-25-34-31(29-32)24-28-43-44(34)37-19-9-12-22-42(37)55-43)52-49(51-47)54-39-21-11-8-18-36(39)46-41(54)27-26-40-45(46)35-17-7-10-20-38(35)53(40)33-15-5-2-6-16-33;1-3-13-30(14-4-1)47-50-48(32-23-25-34-31(27-32)24-26-45-46(34)37-19-9-12-22-44(37)55-45)52-49(51-47)54-41-21-11-8-18-36(41)39-28-38-35-17-7-10-20-40(35)53(42(38)29-43(39)54)33-15-5-2-6-16-33;1-46(2)36-17-9-6-14-31(36)33-23-24-34-32-15-7-10-18-37(32)50(42(34)41(33)46)45-48-43(27-12-4-3-5-13-27)47-44(49-45)29-20-22-30-28(26-29)21-25-39-40(30)35-16-8-11-19-38(35)51-39/h2*1-29H;3-26H,1-2H3
InChIKeySJCKEPBAFJIOOE-UHFFFAOYSA-N
MW2062.38 g/mol
LogP36.57
Rot. Bonds11

About 12,12-dimethyl-11-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole;9-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole

12,12-dimethyl-11-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole;9-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole (PubChem CID 160849742) has the molecular formula C144H88N14O3 and a molecular weight of 2062.38 g/mol. Its IUPAC name is 12,12-dimethyl-11-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole;9-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name12,12-dimethyl-11-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole;9-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
PubChem CID160849742
Molecular FormulaC144H88N14O3
Molecular Weight2062.38 g/mol
Exact Mass2060.72
IUPAC Name12,12-dimethyl-11-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole;9-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccc6c(ccc7oc8ccccc8c76)c5)n4)c3c21.c1ccc(-c2nc(-c3ccc4c(ccc5oc6ccccc6c54)c3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)n2)cc1.c1ccc(-c2nc(-c3ccc4c(ccc5oc6ccccc6c54)c3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1
InChIInChI=1S/2C49H29N5O.C46H30N4O/c1-3-13-30(14-4-1)47-50-48(32-23-25-34-31(29-32)24-28-43-44(34)37-19-9-12-22-42(37)55-43)52-49(51-47)54-39-21-11-8-18-36(39)46-41(54)27-26-40-45(46)35-17-7-10-20-38(35)53(40)33-15-5-2-6-16-33;1-3-13-30(14-4-1)47-50-48(32-23-25-34-31(27-32)24-26-45-46(34)37-19-9-12-22-44(37)55-45)52-49(51-47)54-41-21-11-8-18-36(41)39-28-38-35-17-7-10-20-40(35)53(42(38)29-43(39)54)33-15-5-2-6-16-33;1-46(2)36-17-9-6-14-31(36)33-23-24-34-32-15-7-10-18-37(32)50(42(34)41(33)46)45-48-43(27-12-4-3-5-13-27)47-44(49-45)29-20-22-30-28(26-29)21-25-39-40(30)35-16-8-11-19-38(35)51-39/h2*1-29H;3-26H,1-2H3
InChIKeySJCKEPBAFJIOOE-UHFFFAOYSA-N
XLogP36.57
TPSA180.08 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms161
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002062.38
LogP ≤ 536.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 12,12-dimethyl-11-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole;9-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-11-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole;9-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 12,12-dimethyl-11-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole;9-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole (CID 160849742) is 12,12-dimethyl-11-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole;9-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 12,12-dimethyl-11-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole;9-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 12,12-dimethyl-11-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole;9-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccc6c(ccc7oc8ccccc8c76)c5)n4)c3c21.c1ccc(-c2nc(-c3ccc4c(ccc5oc6ccccc6c54)c3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)n2)cc1.c1ccc(-c2nc(-c3ccc4c(ccc5oc6ccccc6c54)c3)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1.
What is the InChIKey of 12,12-dimethyl-11-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole;9-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole?
The InChIKey is SJCKEPBAFJIOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H29N5O.C46H30N4O/c1-3-13-30(14-4-1)47-50-48(32-23-25-34-31(29-32)24-28-43-44(34)37-19-9-12-22-42(37)55-43)52-49(51-47)54-39-21-11-8-18-36(39)46-41(54)27-26-40-45(46)35-17-7-10-20-38(35)53(40)33-15-5-2-6-16-33;1-3-13-30(14-4-1)47-50-48(32-23-25-34-31(27-32)24-26-45-46(34)37-19-9-12-22-44(37)55-45)52-49(51-47)54-41-21-11-8-18-36(41)39-28-38-35-17-7-10-20-40(35)53(42(38)29-43(39)54)33-15-5-2-6-16-33;1-46(2)36-17-9-6-14-31(36)33-23-24-34-32-15-7-10-18-37(32)50(42(34)41(33)46)45-48-43(27-12-4-3-5-13-27)47-44(49-45)29-20-22-30-28(26-29)21-25-39-40(30)35-16-8-11-19-38(35)51-39/h2*1-29H;3-26H,1-2H3.
What are the key properties of 12,12-dimethyl-11-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole;9-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole?
12,12-dimethyl-11-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole;9-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole has a molecular weight of 2062.38 g/mol, XLogP of 36.57, 11 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-11-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole;9-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-(4-naphtho[2,1-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 160849742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).