14-carbazol-9-yl-3-dibenzothiophen-4-yl-8-(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene

C53H35N3S — CID 90363355

IUPAC14-carbazol-9-yl-3-dibenzothiophen-4-yl-8-(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3ccc4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5c(ccn5-c5cccc6c5sc5ccccc56)c43)cc21
InChIInChI=1S/C53H35N3S/c1-53(2)44-17-7-3-12-34(44)35-24-22-32(31-45(35)53)54-28-26-40-43-30-33(56-46-18-8-4-13-36(46)37-14-5-9-19-47(37)56)23-25-39(43)51-42(50(40)54)27-29-55(51)48-20-11-16-41-38-15-6-10-21-49(38)57-52(41)48/h3-31H,1-2H3
InChIKeyLMXWEDROGQUZLD-UHFFFAOYSA-N
MW745.95 g/mol
LogP14.50
Rot. Bonds3

About 14-carbazol-9-yl-3-dibenzothiophen-4-yl-8-(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene

14-carbazol-9-yl-3-dibenzothiophen-4-yl-8-(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene (PubChem CID 90363355) has the molecular formula C53H35N3S and a molecular weight of 745.95 g/mol. Its IUPAC name is 14-carbazol-9-yl-3-dibenzothiophen-4-yl-8-(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene.

Molecular Properties

Compound Name14-carbazol-9-yl-3-dibenzothiophen-4-yl-8-(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene
PubChem CID90363355
Molecular FormulaC53H35N3S
Molecular Weight745.95 g/mol
Exact Mass745.26
IUPAC Name14-carbazol-9-yl-3-dibenzothiophen-4-yl-8-(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3ccc4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5c(ccn5-c5cccc6c5sc5ccccc56)c43)cc21
InChIInChI=1S/C53H35N3S/c1-53(2)44-17-7-3-12-34(44)35-24-22-32(31-45(35)53)54-28-26-40-43-30-33(56-46-18-8-4-13-36(46)37-14-5-9-19-47(37)56)23-25-39(43)51-42(50(40)54)27-29-55(51)48-20-11-16-41-38-15-6-10-21-49(38)57-52(41)48/h3-31H,1-2H3
InChIKeyLMXWEDROGQUZLD-UHFFFAOYSA-N
XLogP14.50
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.95
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-carbazol-9-yl-3-dibenzothiophen-4-yl-8-(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene with MolForge

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Related Compounds

14-carbazol-9-yl-3,8-bis(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene;14-dibenzofuran-4-yl-3-dibenzothiophen-4-yl-9-phenyl-8-thia-3-azatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene
CID 159849610
9-dibenzothiophen-2-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-3-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-dibenzothiophen-4-yl-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-(9,9-dimethylfluoren-2-yl)-18-methyl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 163972851
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-10-(9,9-dimethylfluoren-2-yl)-9,9-dimethylacridine
CID 70936103
5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 160917580
5-[6-(2-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 118335098
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
9-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)carbazole
CID 58501473
9-(6-carbazol-9-ylnaphthalen-2-yl)carbazole;9-[4-[9-(4-carbazol-9-ylphenyl)fluoren-9-yl]phenyl]carbazole;9-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole;9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole;12-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-naphthalen-2-yl-[1]benzothiolo[2,3-a]carbazole;9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;9-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 157423124
5-(6-dibenzothiophen-1-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 146533076
5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole
CID 122595548
9-dibenzofuran-3-yl-14-(9,9-dimethylfluoren-3-yl)-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;9-dibenzothiophen-4-yl-14-(9,9-dimethylfluoren-3-yl)-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;9-(9,9-dimethylfluoren-2-yl)-14-(9,9-dimethylfluoren-3-yl)-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;9-(9,9-dimethylfluoren-3-yl)-14-[3-(4-phenylphenyl)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
CID 161235819
11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 123926035

Frequently Asked Questions

What is the IUPAC name of 14-carbazol-9-yl-3-dibenzothiophen-4-yl-8-(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene?
The IUPAC name of 14-carbazol-9-yl-3-dibenzothiophen-4-yl-8-(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene (CID 90363355) is 14-carbazol-9-yl-3-dibenzothiophen-4-yl-8-(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene.
What is the SMILES notation for 14-carbazol-9-yl-3-dibenzothiophen-4-yl-8-(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene?
The canonical SMILES for 14-carbazol-9-yl-3-dibenzothiophen-4-yl-8-(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene is CC1(C)c2ccccc2-c2ccc(-n3ccc4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5c(ccn5-c5cccc6c5sc5ccccc56)c43)cc21.
What is the InChIKey of 14-carbazol-9-yl-3-dibenzothiophen-4-yl-8-(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene?
The InChIKey is LMXWEDROGQUZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3S/c1-53(2)44-17-7-3-12-34(44)35-24-22-32(31-45(35)53)54-28-26-40-43-30-33(56-46-18-8-4-13-36(46)37-14-5-9-19-47(37)56)23-25-39(43)51-42(50(40)54)27-29-55(51)48-20-11-16-41-38-15-6-10-21-49(38)57-52(41)48/h3-31H,1-2H3.
What are the key properties of 14-carbazol-9-yl-3-dibenzothiophen-4-yl-8-(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene?
14-carbazol-9-yl-3-dibenzothiophen-4-yl-8-(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene has a molecular weight of 745.95 g/mol, XLogP of 14.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-carbazol-9-yl-3-dibenzothiophen-4-yl-8-(9,9-dimethylfluoren-2-yl)-3,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),9,13,15-heptaene is sourced from PubChem (CID 90363355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).