3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[3-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole

C88H52N2OS2 — CID 138474974

IUPAC3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[3-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5cccc(-c6ccc7c(c6)c6cc(-c8ccc9sc%10ccc(-c%11cccc%12oc%13ccccc%13c%11%12)cc%10c9c8)ccc6n7-c6cccc7ccccc67)c5)cc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1
InChIInChI=1S/C88H52N2OS2/c1-2-14-53(15-3-1)57-20-11-21-65(45-57)89-78-37-30-58(46-70(78)71-48-60(31-38-79(71)89)62-34-41-85-74(50-62)68-23-7-9-29-84(68)92-85)55-18-10-19-56(44-55)59-32-39-80-72(47-59)73-49-61(33-40-81(73)90(80)77-26-12-17-54-16-4-5-22-66(54)77)63-35-42-86-75(51-63)76-52-64(36-43-87(76)93-86)67-25-13-28-83-88(67)69-24-6-8-27-82(69)91-83/h1-52H
InChIKeyJJBFBFPRDRKAJJ-UHFFFAOYSA-N
MW1217.53 g/mol
LogP25.67
Rot. Bonds8

About 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[3-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole

3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[3-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole (PubChem CID 138474974) has the molecular formula C88H52N2OS2 and a molecular weight of 1217.53 g/mol. Its IUPAC name is 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[3-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole.

Molecular Properties

Compound Name3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[3-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole
PubChem CID138474974
Molecular FormulaC88H52N2OS2
Molecular Weight1217.53 g/mol
Exact Mass1216.35
IUPAC Name3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[3-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5cccc(-c6ccc7c(c6)c6cc(-c8ccc9sc%10ccc(-c%11cccc%12oc%13ccccc%13c%11%12)cc%10c9c8)ccc6n7-c6cccc7ccccc67)c5)cc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1
InChIInChI=1S/C88H52N2OS2/c1-2-14-53(15-3-1)57-20-11-21-65(45-57)89-78-37-30-58(46-70(78)71-48-60(31-38-79(71)89)62-34-41-85-74(50-62)68-23-7-9-29-84(68)92-85)55-18-10-19-56(44-55)59-32-39-80-72(47-59)73-49-61(33-40-81(73)90(80)77-26-12-17-54-16-4-5-22-66(54)77)63-35-42-86-75(51-63)76-52-64(36-43-87(76)93-86)67-25-13-28-83-88(67)69-24-6-8-27-82(69)91-83/h1-52H
InChIKeyJJBFBFPRDRKAJJ-UHFFFAOYSA-N
XLogP25.67
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001217.53
LogP ≤ 525.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[3-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole with MolForge

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Related Compounds

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-(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
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
9-[2-(3-dibenzofuran-1-ylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166037435
9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole
CID 166037170
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-[3-(3-carbazol-9-ylphenyl)phenyl]-9-dibenzofuran-1-ylcarbazole;3-(3-carbazol-9-yl-5-phenylphenyl)-9-dibenzofuran-1-ylcarbazole;3-[3-(3-carbazol-9-ylphenyl)phenyl]-9-dibenzothiophen-1-ylcarbazole
CID 159327948
3-dibenzofuran-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-3-yl]carbazole;3-dibenzothiophen-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 158998789
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-dibenzothiophen-2-yl-6-(4-naphtho[2,1-b][1]benzofuran-10-yl-3,5-diphenylphenyl)-9-(3-phenylphenyl)carbazole
CID 137466468
3-dibenzothiophen-2-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 158954926
10-(9-dibenzofuran-4-yl-6-phenylcarbazol-3-yl)-7-(4-dibenzothiophen-2-ylphenyl)benzo[c]carbazole
CID 163849654

Frequently Asked Questions

What is the IUPAC name of 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[3-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole?
The IUPAC name of 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) is 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[3-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole.
What is the SMILES notation for 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[3-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole?
The canonical SMILES for 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[3-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole is c1ccc(-c2cccc(-n3c4ccc(-c5cccc(-c6ccc7c(c6)c6cc(-c8ccc9sc%10ccc(-c%11cccc%12oc%13ccccc%13c%11%12)cc%10c9c8)ccc6n7-c6cccc7ccccc67)c5)cc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1.
What is the InChIKey of 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[3-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole?
The InChIKey is JJBFBFPRDRKAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H52N2OS2/c1-2-14-53(15-3-1)57-20-11-21-65(45-57)89-78-37-30-58(46-70(78)71-48-60(31-38-79(71)89)62-34-41-85-74(50-62)68-23-7-9-29-84(68)92-85)55-18-10-19-56(44-55)59-32-39-80-72(47-59)73-49-61(33-40-81(73)90(80)77-26-12-17-54-16-4-5-22-66(54)77)63-35-42-86-75(51-63)76-52-64(36-43-87(76)93-86)67-25-13-28-83-88(67)69-24-6-8-27-82(69)91-83/h1-52H.
What are the key properties of 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[3-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole?
3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[3-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole has a molecular weight of 1217.53 g/mol, XLogP of 25.67, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[3-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]phenyl]-9-naphthalen-1-ylcarbazole is sourced from PubChem (CID 138474974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).