6-[4-[3,6-bis(4-dibenzofuran-4-ylphenyl)carbazol-9-yl]phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C64H37N3O3 — CID 121449359

IUPAC6-[4-[3,6-bis(4-dibenzofuran-4-ylphenyl)carbazol-9-yl]phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1ccc2c(c1)oc1c(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)ccc4n5-c4ccc(-c5ccnc6c5oc5cccnc56)cc4)cc3)cccc12
InChIInChI=1S/C64H37N3O3/c1-3-14-57-49(8-1)51-12-5-10-46(62(51)68-57)40-21-17-38(18-22-40)43-27-31-55-53(36-43)54-37-44(39-19-23-41(24-20-39)47-11-6-13-52-50-9-2-4-15-58(50)69-63(47)52)28-32-56(54)67(55)45-29-25-42(26-30-45)48-33-35-66-61-60-59(70-64(48)61)16-7-34-65-60/h1-37H
InChIKeyOBUZNQWZSWPJJU-UHFFFAOYSA-N
MW896.02 g/mol
LogP17.61
Rot. Bonds6

About 6-[4-[3,6-bis(4-dibenzofuran-4-ylphenyl)carbazol-9-yl]phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

6-[4-[3,6-bis(4-dibenzofuran-4-ylphenyl)carbazol-9-yl]phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 121449359) has the molecular formula C64H37N3O3 and a molecular weight of 896.02 g/mol. Its IUPAC name is 6-[4-[3,6-bis(4-dibenzofuran-4-ylphenyl)carbazol-9-yl]phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name6-[4-[3,6-bis(4-dibenzofuran-4-ylphenyl)carbazol-9-yl]phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID121449359
Molecular FormulaC64H37N3O3
Molecular Weight896.02 g/mol
Exact Mass895.28
IUPAC Name6-[4-[3,6-bis(4-dibenzofuran-4-ylphenyl)carbazol-9-yl]phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1ccc2c(c1)oc1c(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)ccc4n5-c4ccc(-c5ccnc6c5oc5cccnc56)cc4)cc3)cccc12
InChIInChI=1S/C64H37N3O3/c1-3-14-57-49(8-1)51-12-5-10-46(62(51)68-57)40-21-17-38(18-22-40)43-27-31-55-53(36-43)54-37-44(39-19-23-41(24-20-39)47-11-6-13-52-50-9-2-4-15-58(50)69-63(47)52)28-32-56(54)67(55)45-29-25-42(26-30-45)48-33-35-66-61-60-59(70-64(48)61)16-7-34-65-60/h1-37H
InChIKeyOBUZNQWZSWPJJU-UHFFFAOYSA-N
XLogP17.61
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.02
LogP ≤ 517.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-[3,6-bis(4-dibenzofuran-4-ylphenyl)carbazol-9-yl]phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine
CID 122692971
9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole
CID 118402480
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole
CID 58536218
4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158714965
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole
CID 134370621
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 137466609
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3,6-bis(4-dibenzofuran-4-ylphenyl)carbazol-9-yl]phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 6-[4-[3,6-bis(4-dibenzofuran-4-ylphenyl)carbazol-9-yl]phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 121449359) is 6-[4-[3,6-bis(4-dibenzofuran-4-ylphenyl)carbazol-9-yl]phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 6-[4-[3,6-bis(4-dibenzofuran-4-ylphenyl)carbazol-9-yl]phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 6-[4-[3,6-bis(4-dibenzofuran-4-ylphenyl)carbazol-9-yl]phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is c1ccc2c(c1)oc1c(-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)ccc4n5-c4ccc(-c5ccnc6c5oc5cccnc56)cc4)cc3)cccc12.
What is the InChIKey of 6-[4-[3,6-bis(4-dibenzofuran-4-ylphenyl)carbazol-9-yl]phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is OBUZNQWZSWPJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H37N3O3/c1-3-14-57-49(8-1)51-12-5-10-46(62(51)68-57)40-21-17-38(18-22-40)43-27-31-55-53(36-43)54-37-44(39-19-23-41(24-20-39)47-11-6-13-52-50-9-2-4-15-58(50)69-63(47)52)28-32-56(54)67(55)45-29-25-42(26-30-45)48-33-35-66-61-60-59(70-64(48)61)16-7-34-65-60/h1-37H.
What are the key properties of 6-[4-[3,6-bis(4-dibenzofuran-4-ylphenyl)carbazol-9-yl]phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
6-[4-[3,6-bis(4-dibenzofuran-4-ylphenyl)carbazol-9-yl]phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 896.02 g/mol, XLogP of 17.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3,6-bis(4-dibenzofuran-4-ylphenyl)carbazol-9-yl]phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 121449359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).