2-[6-(1-benzothiophen-2-yl)-7-dibenzothiophen-1-yl-5-(furan-2-yl)-8-(1H-indol-2-yl)-3,4-diphenyl-9H-carbazol-2-yl]-1,3-benzoxazole

C63H37N3O2S2 — CID 140998492

IUPAC2-[6-(1-benzothiophen-2-yl)-7-dibenzothiophen-1-yl-5-(furan-2-yl)-8-(1H-indol-2-yl)-3,4-diphenyl-9H-carbazol-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2c(-c3nc4ccccc4o3)cc3[nH]c4c(-c5cc6ccccc6[nH]5)c(-c5cccc6sc7ccccc7c56)c(-c5cc6ccccc6s5)c(-c5ccco5)c4c3c2-c2ccccc2)cc1
InChIInChI=1S/C63H37N3O2S2/c1-3-17-36(18-4-1)53-42(63-66-44-26-11-12-27-47(44)68-63)35-46-57(54(53)37-19-5-2-6-20-37)61-59(48-28-16-32-67-48)60(52-34-39-22-8-13-29-49(39)69-52)56(41-24-15-31-51-55(41)40-23-9-14-30-50(40)70-51)58(62(61)65-46)45-33-38-21-7-10-25-43(38)64-45/h1-35,64-65H
InChIKeyVOPVRIUIXWPQKE-UHFFFAOYSA-N
MW932.14 g/mol
LogP18.79
Rot. Bonds7

About 2-[6-(1-benzothiophen-2-yl)-7-dibenzothiophen-1-yl-5-(furan-2-yl)-8-(1H-indol-2-yl)-3,4-diphenyl-9H-carbazol-2-yl]-1,3-benzoxazole

2-[6-(1-benzothiophen-2-yl)-7-dibenzothiophen-1-yl-5-(furan-2-yl)-8-(1H-indol-2-yl)-3,4-diphenyl-9H-carbazol-2-yl]-1,3-benzoxazole (PubChem CID 140998492) has the molecular formula C63H37N3O2S2 and a molecular weight of 932.14 g/mol. Its IUPAC name is 2-[6-(1-benzothiophen-2-yl)-7-dibenzothiophen-1-yl-5-(furan-2-yl)-8-(1H-indol-2-yl)-3,4-diphenyl-9H-carbazol-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-(1-benzothiophen-2-yl)-7-dibenzothiophen-1-yl-5-(furan-2-yl)-8-(1H-indol-2-yl)-3,4-diphenyl-9H-carbazol-2-yl]-1,3-benzoxazole
PubChem CID140998492
Molecular FormulaC63H37N3O2S2
Molecular Weight932.14 g/mol
Exact Mass931.23
IUPAC Name2-[6-(1-benzothiophen-2-yl)-7-dibenzothiophen-1-yl-5-(furan-2-yl)-8-(1H-indol-2-yl)-3,4-diphenyl-9H-carbazol-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2c(-c3nc4ccccc4o3)cc3[nH]c4c(-c5cc6ccccc6[nH]5)c(-c5cccc6sc7ccccc7c56)c(-c5cc6ccccc6s5)c(-c5ccco5)c4c3c2-c2ccccc2)cc1
InChIInChI=1S/C63H37N3O2S2/c1-3-17-36(18-4-1)53-42(63-66-44-26-11-12-27-47(44)68-63)35-46-57(54(53)37-19-5-2-6-20-37)61-59(48-28-16-32-67-48)60(52-34-39-22-8-13-29-49(39)69-52)56(41-24-15-31-51-55(41)40-23-9-14-30-50(40)70-51)58(62(61)65-46)45-33-38-21-7-10-25-43(38)64-45/h1-35,64-65H
InChIKeyVOPVRIUIXWPQKE-UHFFFAOYSA-N
XLogP18.79
TPSA70.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.14
LogP ≤ 518.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-(1-benzothiophen-2-yl)-7-dibenzothiophen-1-yl-5-(furan-2-yl)-8-(1H-indol-2-yl)-3,4-diphenyl-9H-carbazol-2-yl]-1,3-benzoxazole with MolForge

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Related Compounds

21-Phenyl-6-[4-(5,14,23-trifluoro-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaen-18-yl)phenyl]-18-oxa-9-thia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12,14,16,19,22,24,26-dodecaene
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3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-[6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-(6-methyl-2-phenyl-1H-indol-3-yl)propyl]furan-3-yl]-1H-indol-3-yl]propyl]thiophen-3-yl]-1H-indole
CID 139394506
2,7-Bis[5-(1-benzothiophen-2-yl)-4-fluorothiophen-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 169313992
[2-[7-[6-(2,3,4,5,6-Pentafluorobenzoyl)-1-benzothiophen-2-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-2-yl]-1-benzothiophen-6-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 169314305
2-[4-[7-(4-Benzo[f][1,3]benzoxazol-2-yl-3-fluorophenyl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]-2-fluorophenyl]benzo[f][1,3]benzoxazole
CID 169698942
7-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N-dibenzothiophen-2-yl-2-N,7-N-bis(4-fluorophenyl)phenanthrene-2,7-diamine
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CID 22960128
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CID 58059145
3-[8-(6-Carbazol-9-yl-8-phenyldibenzofuran-2-yl)-4-dibenzofuran-2-yldibenzothiophen-2-yl]-9-phenylcarbazole
CID 58099625

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-benzothiophen-2-yl)-7-dibenzothiophen-1-yl-5-(furan-2-yl)-8-(1H-indol-2-yl)-3,4-diphenyl-9H-carbazol-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-(1-benzothiophen-2-yl)-7-dibenzothiophen-1-yl-5-(furan-2-yl)-8-(1H-indol-2-yl)-3,4-diphenyl-9H-carbazol-2-yl]-1,3-benzoxazole (CID 140998492) is 2-[6-(1-benzothiophen-2-yl)-7-dibenzothiophen-1-yl-5-(furan-2-yl)-8-(1H-indol-2-yl)-3,4-diphenyl-9H-carbazol-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-(1-benzothiophen-2-yl)-7-dibenzothiophen-1-yl-5-(furan-2-yl)-8-(1H-indol-2-yl)-3,4-diphenyl-9H-carbazol-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-(1-benzothiophen-2-yl)-7-dibenzothiophen-1-yl-5-(furan-2-yl)-8-(1H-indol-2-yl)-3,4-diphenyl-9H-carbazol-2-yl]-1,3-benzoxazole is c1ccc(-c2c(-c3nc4ccccc4o3)cc3[nH]c4c(-c5cc6ccccc6[nH]5)c(-c5cccc6sc7ccccc7c56)c(-c5cc6ccccc6s5)c(-c5ccco5)c4c3c2-c2ccccc2)cc1.
What is the InChIKey of 2-[6-(1-benzothiophen-2-yl)-7-dibenzothiophen-1-yl-5-(furan-2-yl)-8-(1H-indol-2-yl)-3,4-diphenyl-9H-carbazol-2-yl]-1,3-benzoxazole?
The InChIKey is VOPVRIUIXWPQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N3O2S2/c1-3-17-36(18-4-1)53-42(63-66-44-26-11-12-27-47(44)68-63)35-46-57(54(53)37-19-5-2-6-20-37)61-59(48-28-16-32-67-48)60(52-34-39-22-8-13-29-49(39)69-52)56(41-24-15-31-51-55(41)40-23-9-14-30-50(40)70-51)58(62(61)65-46)45-33-38-21-7-10-25-43(38)64-45/h1-35,64-65H.
What are the key properties of 2-[6-(1-benzothiophen-2-yl)-7-dibenzothiophen-1-yl-5-(furan-2-yl)-8-(1H-indol-2-yl)-3,4-diphenyl-9H-carbazol-2-yl]-1,3-benzoxazole?
2-[6-(1-benzothiophen-2-yl)-7-dibenzothiophen-1-yl-5-(furan-2-yl)-8-(1H-indol-2-yl)-3,4-diphenyl-9H-carbazol-2-yl]-1,3-benzoxazole has a molecular weight of 932.14 g/mol, XLogP of 18.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-benzothiophen-2-yl)-7-dibenzothiophen-1-yl-5-(furan-2-yl)-8-(1H-indol-2-yl)-3,4-diphenyl-9H-carbazol-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 140998492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).