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

C82H48N2OS2 — CID 137466565

IUPAC3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5ccc6sc7ccccc7c6c5)cc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8sc9ccc(-c%10cccc%11oc%12ccccc%12c%10%11)cc9c8c7)ccc5n6-c5cccc6ccccc56)ccc43)c2)cc1
InChIInChI=1S/C82H48N2OS2/c1-2-13-49(14-3-1)51-17-10-18-59(41-51)83-72-34-27-52(42-64(72)65-43-54(28-35-73(65)83)56-31-38-79-68(46-56)62-20-7-9-26-78(62)86-79)53-29-36-74-66(44-53)67-45-55(30-37-75(67)84(74)71-23-11-16-50-15-4-5-19-60(50)71)57-32-39-80-69(47-57)70-48-58(33-40-81(70)87-80)61-22-12-25-77-82(61)63-21-6-8-24-76(63)85-77/h1-48H
InChIKeyCWDLWWOWOOEIEX-UHFFFAOYSA-N
MW1141.43 g/mol
LogP24.00
Rot. Bonds7

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

3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole (PubChem CID 137466565) has the molecular formula C82H48N2OS2 and a molecular weight of 1141.43 g/mol. Its IUPAC name is 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole.

Molecular Properties

Compound Name3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
PubChem CID137466565
Molecular FormulaC82H48N2OS2
Molecular Weight1141.43 g/mol
Exact Mass1140.32
IUPAC Name3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
SMILESc1ccc(-c2cccc(-n3c4ccc(-c5ccc6sc7ccccc7c6c5)cc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8sc9ccc(-c%10cccc%11oc%12ccccc%12c%10%11)cc9c8c7)ccc5n6-c5cccc6ccccc56)ccc43)c2)cc1
InChIInChI=1S/C82H48N2OS2/c1-2-13-49(14-3-1)51-17-10-18-59(41-51)83-72-34-27-52(42-64(72)65-43-54(28-35-73(65)83)56-31-38-79-68(46-56)62-20-7-9-26-78(62)86-79)53-29-36-74-66(44-53)67-45-55(30-37-75(67)84(74)71-23-11-16-50-15-4-5-19-60(50)71)57-32-39-80-69(47-57)70-48-58(33-40-81(70)87-80)61-22-12-25-77-82(61)63-21-6-8-24-76(63)85-77/h1-48H
InChIKeyCWDLWWOWOOEIEX-UHFFFAOYSA-N
XLogP24.00
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001141.43
LogP ≤ 524.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-[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
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-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
9-[2-(3-dibenzofuran-1-ylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166037435
10-(9-dibenzofuran-4-yl-6-phenylcarbazol-3-yl)-7-(4-dibenzothiophen-2-ylphenyl)benzo[c]carbazole
CID 163849654
3-[9-(6-dibenzofuran-1-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 118534204
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-1-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 159897890
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
9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole
CID 166037170

Frequently Asked Questions

What is the IUPAC name of 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole?
The IUPAC name of 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole (CID 137466565) is 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole.
What is the SMILES notation for 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole?
The canonical SMILES for 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole is c1ccc(-c2cccc(-n3c4ccc(-c5ccc6sc7ccccc7c6c5)cc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8sc9ccc(-c%10cccc%11oc%12ccccc%12c%10%11)cc9c8c7)ccc5n6-c5cccc6ccccc56)ccc43)c2)cc1.
What is the InChIKey of 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole?
The InChIKey is CWDLWWOWOOEIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H48N2OS2/c1-2-13-49(14-3-1)51-17-10-18-59(41-51)83-72-34-27-52(42-64(72)65-43-54(28-35-73(65)83)56-31-38-79-68(46-56)62-20-7-9-26-78(62)86-79)53-29-36-74-66(44-53)67-45-55(30-37-75(67)84(74)71-23-11-16-50-15-4-5-19-60(50)71)57-32-39-80-69(47-57)70-48-58(33-40-81(70)87-80)61-22-12-25-77-82(61)63-21-6-8-24-76(63)85-77/h1-48H.
What are the key properties of 3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole?
3-(8-dibenzofuran-1-yldibenzothiophen-2-yl)-6-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole has a molecular weight of 1141.43 g/mol, XLogP of 24.00, 7 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-[6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole is sourced from PubChem (CID 137466565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).