3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[4-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole;3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne

C210H112N6OS2 — CID 159203974

IUPAC3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[4-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole;3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.c1ccc(-c2cccc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)c6cc(-c8ccc9sc%10ccc(-c%11cccc%12oc%13ccccc%13c%11%12)cc%10c9c8)ccc6n7-c6cccc7ccccc67)cc5)cc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)ccc32)cc1
InChIInChI=1S/C88H52N2OS2.C46H30N2.C42H28N2.C34H2/c1-2-13-53(14-3-1)57-17-10-18-65(45-57)89-78-38-31-58(46-70(78)71-48-60(33-39-79(71)89)62-35-42-85-74(50-62)68-20-7-9-26-84(68)92-85)54-27-29-55(30-28-54)59-32-40-80-72(47-59)73-49-61(34-41-81(73)90(80)77-23-11-16-56-15-4-5-19-66(56)77)63-36-43-86-75(51-63)76-52-64(37-44-87(76)93-86)67-22-12-25-83-88(67)69-21-6-8-24-82(69)91-83;1-2-15-37(16-3-1)47-43-19-8-6-17-39(43)41-29-35(22-25-45(41)47)32-13-10-14-33(27-32)36-23-26-46-42(30-36)40-18-7-9-20-44(40)48(46)38-24-21-31-11-4-5-12-34(31)28-38;1-3-14-33(15-4-1)43-39-20-9-7-18-35(39)37-27-31(22-24-41(37)43)29-12-11-13-30(26-29)32-23-25-42-38(28-32)36-19-8-10-21-40(36)44(42)34-16-5-2-6-17-34;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1-52H;1-30H;1-28H;1-2H
InChIKeyKPQHKQOYUZISMQ-UHFFFAOYSA-N
MW2799.38 g/mol
LogP49.56
Rot. Bonds16

About 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[4-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole;3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne

3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[4-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole;3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne (PubChem CID 159203974) has the molecular formula C210H112N6OS2 and a molecular weight of 2799.38 g/mol. Its IUPAC name is 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[4-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole;3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne.

Molecular Properties

Compound Name3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[4-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole;3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne
PubChem CID159203974
Molecular FormulaC210H112N6OS2
Molecular Weight2799.38 g/mol
Exact Mass2796.83
IUPAC Name3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[4-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole;3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.c1ccc(-c2cccc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)c6cc(-c8ccc9sc%10ccc(-c%11cccc%12oc%13ccccc%13c%11%12)cc%10c9c8)ccc6n7-c6cccc7ccccc67)cc5)cc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)ccc32)cc1
InChIInChI=1S/C88H52N2OS2.C46H30N2.C42H28N2.C34H2/c1-2-13-53(14-3-1)57-17-10-18-65(45-57)89-78-38-31-58(46-70(78)71-48-60(33-39-79(71)89)62-35-42-85-74(50-62)68-20-7-9-26-84(68)92-85)54-27-29-55(30-28-54)59-32-40-80-72(47-59)73-49-61(34-41-81(73)90(80)77-23-11-16-56-15-4-5-19-66(56)77)63-36-43-86-75(51-63)76-52-64(37-44-87(76)93-86)67-22-12-25-83-88(67)69-21-6-8-24-82(69)91-83;1-2-15-37(16-3-1)47-43-19-8-6-17-39(43)41-29-35(22-25-45(41)47)32-13-10-14-33(27-32)36-23-26-46-42(30-36)40-18-7-9-20-44(40)48(46)38-24-21-31-11-4-5-12-34(31)28-38;1-3-14-33(15-4-1)43-39-20-9-7-18-35(39)37-27-31(22-24-41(37)43)29-12-11-13-30(26-29)32-23-25-42-38(28-32)36-19-8-10-21-40(36)44(42)34-16-5-2-6-17-34;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1-52H;1-30H;1-28H;1-2H
InChIKeyKPQHKQOYUZISMQ-UHFFFAOYSA-N
XLogP49.56
TPSA42.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms219
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002799.38
LogP ≤ 549.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[4-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole;3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne with MolForge

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Related Compounds

3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[3-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole
CID 138474974
3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 137466565
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-naphthalen-2-ylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 158742909
2-chloro-6-dibenzofuran-2-yl-9-naphthalen-2-ylcarbazole;2-chloro-6-dibenzofuran-2-yl-9-(4-phenylphenyl)carbazole;2-chloro-6-dibenzothiophen-2-yl-9-naphthalen-1-ylcarbazole;2-chloro-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 159786007
3-[3-[8-(8-dibenzofuran-1-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]-6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-phenyl-6-[3-(8-phenyldibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 157117885
3-dibenzofuran-1-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 165052012
3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 158805799
3-dibenzofuran-2-yl-9-(4-naphthalen-1-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 159777371
2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-naphthalen-1-ylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-naphthalen-2-ylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 161318809
3-dibenzofuran-3-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-4-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzothiophen-2-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 164995701
3-dibenzofuran-3-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-1-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 165110664
3-dibenzofuran-1-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-3-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 163841517

Frequently Asked Questions

What is the IUPAC name of 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[4-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole;3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne?
The IUPAC name of 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[4-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole;3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne (CID 159203974) is 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[4-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole;3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne.
What is the SMILES notation for 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[4-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole;3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne?
The canonical SMILES for 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[4-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole;3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.c1ccc(-c2cccc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)c6cc(-c8ccc9sc%10ccc(-c%11cccc%12oc%13ccccc%13c%11%12)cc%10c9c8)ccc6n7-c6cccc7ccccc67)cc5)cc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)ccc32)cc1.
What is the InChIKey of 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[4-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole;3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne?
The InChIKey is KPQHKQOYUZISMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H52N2OS2.C46H30N2.C42H28N2.C34H2/c1-2-13-53(14-3-1)57-17-10-18-65(45-57)89-78-38-31-58(46-70(78)71-48-60(33-39-79(71)89)62-35-42-85-74(50-62)68-20-7-9-26-84(68)92-85)54-27-29-55(30-28-54)59-32-40-80-72(47-59)73-49-61(34-41-81(73)90(80)77-23-11-16-56-15-4-5-19-66(56)77)63-36-43-86-75(51-63)76-52-64(37-44-87(76)93-86)67-22-12-25-83-88(67)69-21-6-8-24-82(69)91-83;1-2-15-37(16-3-1)47-43-19-8-6-17-39(43)41-29-35(22-25-45(41)47)32-13-10-14-33(27-32)36-23-26-46-42(30-36)40-18-7-9-20-44(40)48(46)38-24-21-31-11-4-5-12-34(31)28-38;1-3-14-33(15-4-1)43-39-20-9-7-18-35(39)37-27-31(22-24-41(37)43)29-12-11-13-30(26-29)32-23-25-42-38(28-32)36-19-8-10-21-40(36)44(42)34-16-5-2-6-17-34;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1-52H;1-30H;1-28H;1-2H.
What are the key properties of 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[4-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole;3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne?
3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[4-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole;3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne has a molecular weight of 2799.38 g/mol, XLogP of 49.56, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[4-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole;3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecayne is sourced from PubChem (CID 159203974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).