11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;14-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

C150H90N6O3 — CID 159963365

IUPAC11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;14-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
SMILESc1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc4c4c5c(ccc43)oc3ccccc35)ccc2c1.c1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc4c4c5oc6ccccc6c5ccc43)ccc2c1.c1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc4c4cc5oc6ccccc6c5cc43)ccc2c1
InChIInChI=1S/3C50H30N2O/c1-2-12-33-28-36(23-20-31(33)10-1)51-46-26-22-35(30-42(46)49-47(51)27-24-40-39-16-6-8-19-48(39)53-50(40)49)34-21-25-45-41(29-34)38-15-5-7-17-44(38)52(45)43-18-9-13-32-11-3-4-14-37(32)43;1-2-12-33-26-36(23-20-31(33)10-1)51-46-24-21-35(28-41(46)42-30-50-43(29-48(42)51)39-16-6-8-19-49(39)53-50)34-22-25-47-40(27-34)38-15-5-7-17-45(38)52(47)44-18-9-13-32-11-3-4-14-37(32)44;1-2-12-33-28-36(23-20-31(33)10-1)51-45-25-22-35(30-41(45)49-46(51)26-27-48-50(49)39-16-6-8-19-47(39)53-48)34-21-24-44-40(29-34)38-15-5-7-17-43(38)52(44)42-18-9-13-32-11-3-4-14-37(32)42/h3*1-30H
InChIKeyODPPKWKYEKRVOU-UHFFFAOYSA-N
MW2024.41 g/mol
LogP41.26
Rot. Bonds9

About 11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;14-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;14-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene (PubChem CID 159963365) has the molecular formula C150H90N6O3 and a molecular weight of 2024.41 g/mol. Its IUPAC name is 11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;14-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;14-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
PubChem CID159963365
Molecular FormulaC150H90N6O3
Molecular Weight2024.41 g/mol
Exact Mass2022.71
IUPAC Name11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;14-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
SMILESc1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc4c4c5c(ccc43)oc3ccccc35)ccc2c1.c1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc4c4c5oc6ccccc6c5ccc43)ccc2c1.c1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc4c4cc5oc6ccccc6c5cc43)ccc2c1
InChIInChI=1S/3C50H30N2O/c1-2-12-33-28-36(23-20-31(33)10-1)51-46-26-22-35(30-42(46)49-47(51)27-24-40-39-16-6-8-19-48(39)53-50(40)49)34-21-25-45-41(29-34)38-15-5-7-17-44(38)52(45)43-18-9-13-32-11-3-4-14-37(32)43;1-2-12-33-26-36(23-20-31(33)10-1)51-46-24-21-35(28-41(46)42-30-50-43(29-48(42)51)39-16-6-8-19-49(39)53-50)34-22-25-47-40(27-34)38-15-5-7-17-45(38)52(47)44-18-9-13-32-11-3-4-14-37(32)44;1-2-12-33-28-36(23-20-31(33)10-1)51-45-25-22-35(30-41(45)49-46(51)26-27-48-50(49)39-16-6-8-19-47(39)53-48)34-21-24-44-40(29-34)38-15-5-7-17-43(38)52(44)42-18-9-13-32-11-3-4-14-37(32)42/h3*1-30H
InChIKeyODPPKWKYEKRVOU-UHFFFAOYSA-N
XLogP41.26
TPSA69.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms159
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002024.41
LogP ≤ 541.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;14-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;14-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The IUPAC name of 11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;14-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene (CID 159963365) is 11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;14-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene.
What is the SMILES notation for 11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;14-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The canonical SMILES for 11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;14-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene is c1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc4c4c5c(ccc43)oc3ccccc35)ccc2c1.c1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc4c4c5oc6ccccc6c5ccc43)ccc2c1.c1ccc2cc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc4c4cc5oc6ccccc6c5cc43)ccc2c1.
What is the InChIKey of 11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;14-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The InChIKey is ODPPKWKYEKRVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C50H30N2O/c1-2-12-33-28-36(23-20-31(33)10-1)51-46-26-22-35(30-42(46)49-47(51)27-24-40-39-16-6-8-19-48(39)53-50(40)49)34-21-25-45-41(29-34)38-15-5-7-17-44(38)52(45)43-18-9-13-32-11-3-4-14-37(32)43;1-2-12-33-26-36(23-20-31(33)10-1)51-46-24-21-35(28-41(46)42-30-50-43(29-48(42)51)39-16-6-8-19-49(39)53-50)34-22-25-47-40(27-34)38-15-5-7-17-45(38)52(47)44-18-9-13-32-11-3-4-14-37(32)44;1-2-12-33-28-36(23-20-31(33)10-1)51-45-25-22-35(30-41(45)49-46(51)26-27-48-50(49)39-16-6-8-19-47(39)53-48)34-21-24-44-40(29-34)38-15-5-7-17-43(38)52(44)42-18-9-13-32-11-3-4-14-37(32)42/h3*1-30H.
What are the key properties of 11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;14-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;14-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene has a molecular weight of 2024.41 g/mol, XLogP of 41.26, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;14-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene is sourced from PubChem (CID 159963365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).