6-[3-[9-[4-[8-[3-(1,3-benzoxazol-2-yl)phenyl]-3,4-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]-2-[3-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole

C98H57N9O2S3 — CID 155357085

IUPAC6-[3-[9-[4-[8-[3-(1,3-benzoxazol-2-yl)phenyl]-3,4-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]-2-[3-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole
SMILESC1=Cc2c(sc3ccc(-c4cccc(-c5nc6ccccc6o5)c4)cc23)C(c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7nc(-c8cccc(-c9ccc%10sc%11c(-c%12nc(-c%13ccccc%13)nc(-c%13ccc%14c(c%13)sc%13ccccc%13%14)n%12)cccc%11c%10c9)c8)oc7c6)c5)ccc43)n2)C1
InChIInChI=1S/C98H57N9O2S3/c1-3-18-56(19-4-1)91-101-93(66-38-43-71-70-29-8-12-37-85(70)110-88(71)55-66)104-94(102-91)74-32-16-30-72-77-52-64(41-46-86(77)111-89(72)74)61-25-15-27-68(50-61)97-100-80-44-39-65(54-84(80)109-97)59-23-13-22-58(48-59)62-40-45-82-76(51-62)69-28-7-10-35-81(69)107(82)98-105-92(57-20-5-2-6-21-57)103-95(106-98)75-33-17-31-73-78-53-63(42-47-87(78)112-90(73)75)60-24-14-26-67(49-60)96-99-79-34-9-11-36-83(79)108-96/h1-32,34-55,75H,33H2
InChIKeyJJJAGKMMFKZESR-UHFFFAOYSA-N
MW1488.80 g/mol
LogP26.61
Rot. Bonds12

About 6-[3-[9-[4-[8-[3-(1,3-benzoxazol-2-yl)phenyl]-3,4-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]-2-[3-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole

6-[3-[9-[4-[8-[3-(1,3-benzoxazol-2-yl)phenyl]-3,4-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]-2-[3-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole (PubChem CID 155357085) has the molecular formula C98H57N9O2S3 and a molecular weight of 1488.80 g/mol. Its IUPAC name is 6-[3-[9-[4-[8-[3-(1,3-benzoxazol-2-yl)phenyl]-3,4-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]-2-[3-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-[3-[9-[4-[8-[3-(1,3-benzoxazol-2-yl)phenyl]-3,4-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]-2-[3-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole
PubChem CID155357085
Molecular FormulaC98H57N9O2S3
Molecular Weight1488.80 g/mol
Exact Mass1487.38
IUPAC Name6-[3-[9-[4-[8-[3-(1,3-benzoxazol-2-yl)phenyl]-3,4-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]-2-[3-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole
SMILESC1=Cc2c(sc3ccc(-c4cccc(-c5nc6ccccc6o5)c4)cc23)C(c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7nc(-c8cccc(-c9ccc%10sc%11c(-c%12nc(-c%13ccccc%13)nc(-c%13ccc%14c(c%13)sc%13ccccc%13%14)n%12)cccc%11c%10c9)c8)oc7c6)c5)ccc43)n2)C1
InChIInChI=1S/C98H57N9O2S3/c1-3-18-56(19-4-1)91-101-93(66-38-43-71-70-29-8-12-37-85(70)110-88(71)55-66)104-94(102-91)74-32-16-30-72-77-52-64(41-46-86(77)111-89(72)74)61-25-15-27-68(50-61)97-100-80-44-39-65(54-84(80)109-97)59-23-13-22-58(48-59)62-40-45-82-76(51-62)69-28-7-10-35-81(69)107(82)98-105-92(57-20-5-2-6-21-57)103-95(106-98)75-33-17-31-73-78-53-63(42-47-87(78)112-90(73)75)60-24-14-26-67(49-60)96-99-79-34-9-11-36-83(79)108-96/h1-32,34-55,75H,33H2
InChIKeyJJJAGKMMFKZESR-UHFFFAOYSA-N
XLogP26.61
TPSA134.33 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001488.80
LogP ≤ 526.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 6-[3-[9-[4-[8-[3-(1,3-benzoxazol-2-yl)phenyl]-3,4-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]-2-[3-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-[9-[4-[8-[3-(1,3-benzoxazol-2-yl)phenyl]-3,4-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]-2-[3-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 6-[3-[9-[4-[8-[3-(1,3-benzoxazol-2-yl)phenyl]-3,4-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]-2-[3-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole (CID 155357085) is 6-[3-[9-[4-[8-[3-(1,3-benzoxazol-2-yl)phenyl]-3,4-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]-2-[3-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 6-[3-[9-[4-[8-[3-(1,3-benzoxazol-2-yl)phenyl]-3,4-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]-2-[3-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 6-[3-[9-[4-[8-[3-(1,3-benzoxazol-2-yl)phenyl]-3,4-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]-2-[3-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole is C1=Cc2c(sc3ccc(-c4cccc(-c5nc6ccccc6o5)c4)cc23)C(c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7nc(-c8cccc(-c9ccc%10sc%11c(-c%12nc(-c%13ccccc%13)nc(-c%13ccc%14c(c%13)sc%13ccccc%13%14)n%12)cccc%11c%10c9)c8)oc7c6)c5)ccc43)n2)C1.
What is the InChIKey of 6-[3-[9-[4-[8-[3-(1,3-benzoxazol-2-yl)phenyl]-3,4-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]-2-[3-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole?
The InChIKey is JJJAGKMMFKZESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H57N9O2S3/c1-3-18-56(19-4-1)91-101-93(66-38-43-71-70-29-8-12-37-85(70)110-88(71)55-66)104-94(102-91)74-32-16-30-72-77-52-64(41-46-86(77)111-89(72)74)61-25-15-27-68(50-61)97-100-80-44-39-65(54-84(80)109-97)59-23-13-22-58(48-59)62-40-45-82-76(51-62)69-28-7-10-35-81(69)107(82)98-105-92(57-20-5-2-6-21-57)103-95(106-98)75-33-17-31-73-78-53-63(42-47-87(78)112-90(73)75)60-24-14-26-67(49-60)96-99-79-34-9-11-36-83(79)108-96/h1-32,34-55,75H,33H2.
What are the key properties of 6-[3-[9-[4-[8-[3-(1,3-benzoxazol-2-yl)phenyl]-3,4-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]-2-[3-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole?
6-[3-[9-[4-[8-[3-(1,3-benzoxazol-2-yl)phenyl]-3,4-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]-2-[3-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole has a molecular weight of 1488.80 g/mol, XLogP of 26.61, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[9-[4-[8-[3-(1,3-benzoxazol-2-yl)phenyl]-3,4-dihydrodibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]phenyl]-2-[3-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 155357085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).