11-[4-[6-(12-naphthalen-1-yl-[1]benzofuro[3,2-a]carbazol-3-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-nonaen-14-yl]naphthalen-1-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

C80H45N3O3 — CID 146407179

IUPAC11-[4-[6-(12-naphthalen-1-yl-[1]benzofuro[3,2-a]carbazol-3-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-nonaen-14-yl]naphthalen-1-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-n2c3cc4oc5ccccc5c4cc3c3c(-c4ccc(-n5c6ccccc6c6c7c(ccc65)oc5cc(-c6ccc8c(c6)oc6ccc9c%10ccccc%10n(-c%10cccc%11ccccc%10%11)c9c68)ccc57)c5ccccc45)cccc32)cc1
InChIInChI=1S/C80H45N3O3/c1-2-18-49(19-3-1)81-67-30-15-26-56(76(67)62-44-61-55-24-10-13-31-70(55)84-75(61)45-69(62)81)52-36-38-66(53-22-7-6-21-51(52)53)82-65-28-12-9-25-58(65)77-68(82)39-41-71-78(77)59-34-32-47(42-73(59)85-71)48-33-35-60-74(43-48)86-72-40-37-57-54-23-8-11-27-64(54)83(80(57)79(60)72)63-29-14-17-46-16-4-5-20-50(46)63/h1-45H
InChIKeyRVHYEBUPWVYLBJ-UHFFFAOYSA-N
MW1096.26 g/mol
LogP22.32
Rot. Bonds5

About 11-[4-[6-(12-naphthalen-1-yl-[1]benzofuro[3,2-a]carbazol-3-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-nonaen-14-yl]naphthalen-1-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

11-[4-[6-(12-naphthalen-1-yl-[1]benzofuro[3,2-a]carbazol-3-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-nonaen-14-yl]naphthalen-1-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (PubChem CID 146407179) has the molecular formula C80H45N3O3 and a molecular weight of 1096.26 g/mol. Its IUPAC name is 11-[4-[6-(12-naphthalen-1-yl-[1]benzofuro[3,2-a]carbazol-3-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-nonaen-14-yl]naphthalen-1-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name11-[4-[6-(12-naphthalen-1-yl-[1]benzofuro[3,2-a]carbazol-3-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-nonaen-14-yl]naphthalen-1-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
PubChem CID146407179
Molecular FormulaC80H45N3O3
Molecular Weight1096.26 g/mol
Exact Mass1095.35
IUPAC Name11-[4-[6-(12-naphthalen-1-yl-[1]benzofuro[3,2-a]carbazol-3-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-nonaen-14-yl]naphthalen-1-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-n2c3cc4oc5ccccc5c4cc3c3c(-c4ccc(-n5c6ccccc6c6c7c(ccc65)oc5cc(-c6ccc8c(c6)oc6ccc9c%10ccccc%10n(-c%10cccc%11ccccc%10%11)c9c68)ccc57)c5ccccc45)cccc32)cc1
InChIInChI=1S/C80H45N3O3/c1-2-18-49(19-3-1)81-67-30-15-26-56(76(67)62-44-61-55-24-10-13-31-70(55)84-75(61)45-69(62)81)52-36-38-66(53-22-7-6-21-51(52)53)82-65-28-12-9-25-58(65)77-68(82)39-41-71-78(77)59-34-32-47(42-73(59)85-71)48-33-35-60-74(43-48)86-72-40-37-57-54-23-8-11-27-64(54)83(80(57)79(60)72)63-29-14-17-46-16-4-5-20-50(46)63/h1-45H
InChIKeyRVHYEBUPWVYLBJ-UHFFFAOYSA-N
XLogP22.32
TPSA54.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001096.26
LogP ≤ 522.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-[4-[6-(12-naphthalen-1-yl-[1]benzofuro[3,2-a]carbazol-3-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-nonaen-14-yl]naphthalen-1-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole with MolForge

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Related Compounds

12-naphthalen-1-yl-[1]benzofuro[3,2-a]carbazole;14-naphthalen-1-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-phenyl-[1]benzofuro[3,2-a]carbazole;bis(7-phenyl-[1]benzofuro[2,3-b]carbazole);5-phenyl-[1]benzofuro[3,2-c]carbazole;14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158446941
7-phenyl-9-(14-phenyl-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-nonaen-18-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223509
7-fluoranthen-3-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223614
4-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 166509813
4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole
CID 166510001
18-fluoranthen-3-yl-15-naphthalen-1-yl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
CID 126680120
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole
CID 167259999
2-[9-(4-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole;2-[9-(4-dibenzofuran-3-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole;2-[9-(4-dibenzofuran-1-ylnaphthalen-1-yl)-9H-fluoren-2-yl]-9-phenylcarbazole
CID 157078186
3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037350
10-fluoranthen-3-yl-15-(4-phenylphenyl)-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene
CID 126679257
3-[9-(6-dibenzofuran-1-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 118534204
10-(14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaen-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 121386084

Frequently Asked Questions

What is the IUPAC name of 11-[4-[6-(12-naphthalen-1-yl-[1]benzofuro[3,2-a]carbazol-3-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-nonaen-14-yl]naphthalen-1-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 11-[4-[6-(12-naphthalen-1-yl-[1]benzofuro[3,2-a]carbazol-3-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-nonaen-14-yl]naphthalen-1-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (CID 146407179) is 11-[4-[6-(12-naphthalen-1-yl-[1]benzofuro[3,2-a]carbazol-3-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-nonaen-14-yl]naphthalen-1-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 11-[4-[6-(12-naphthalen-1-yl-[1]benzofuro[3,2-a]carbazol-3-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-nonaen-14-yl]naphthalen-1-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 11-[4-[6-(12-naphthalen-1-yl-[1]benzofuro[3,2-a]carbazol-3-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-nonaen-14-yl]naphthalen-1-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is c1ccc(-n2c3cc4oc5ccccc5c4cc3c3c(-c4ccc(-n5c6ccccc6c6c7c(ccc65)oc5cc(-c6ccc8c(c6)oc6ccc9c%10ccccc%10n(-c%10cccc%11ccccc%10%11)c9c68)ccc57)c5ccccc45)cccc32)cc1.
What is the InChIKey of 11-[4-[6-(12-naphthalen-1-yl-[1]benzofuro[3,2-a]carbazol-3-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-nonaen-14-yl]naphthalen-1-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The InChIKey is RVHYEBUPWVYLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H45N3O3/c1-2-18-49(19-3-1)81-67-30-15-26-56(76(67)62-44-61-55-24-10-13-31-70(55)84-75(61)45-69(62)81)52-36-38-66(53-22-7-6-21-51(52)53)82-65-28-12-9-25-58(65)77-68(82)39-41-71-78(77)59-34-32-47(42-73(59)85-71)48-33-35-60-74(43-48)86-72-40-37-57-54-23-8-11-27-64(54)83(80(57)79(60)72)63-29-14-17-46-16-4-5-20-50(46)63/h1-45H.
What are the key properties of 11-[4-[6-(12-naphthalen-1-yl-[1]benzofuro[3,2-a]carbazol-3-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-nonaen-14-yl]naphthalen-1-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
11-[4-[6-(12-naphthalen-1-yl-[1]benzofuro[3,2-a]carbazol-3-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-nonaen-14-yl]naphthalen-1-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole has a molecular weight of 1096.26 g/mol, XLogP of 22.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[6-(12-naphthalen-1-yl-[1]benzofuro[3,2-a]carbazol-3-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-nonaen-14-yl]naphthalen-1-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 146407179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).