4-[12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazol-4-yl]-12-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole

C96H54N4O3S — CID 167270565

IUPAC4-[12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazol-4-yl]-12-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc2c(c1)oc1c2ccc2c1c1ccccc1n2-c1ccc(-c2ccc(-n3c4cccc(-c5cccc6c5c5ccc7c8ccccc8sc7c5n6-c5ccc(-c6ccc(-n7c8ccccc8c8ccc9c%10ccccc%10oc9c87)cc6)cc5)c4c4ccc5c6ccccc6oc5c43)cc2)cc1
InChIInChI=1S/C96H54N4O3S/c1-7-23-78-63(15-1)70-47-48-72-65-17-4-10-28-84(65)102-94(72)90(70)98(78)60-41-33-56(34-42-60)58-37-45-62(46-38-58)100-81-26-14-22-69(88(81)77-52-50-74-67-19-6-12-30-86(67)104-96(74)92(77)100)68-21-13-25-80-87(68)76-51-49-73-66-18-5-11-29-85(66)103-95(73)91(76)99(80)61-43-35-57(36-44-61)55-31-39-59(40-32-55)97-79-24-8-2-20-75(79)89-82(97)54-53-71-64-16-3-9-27-83(64)101-93(71)89/h1-54H
InChIKeySKLIVHIJINLMLL-UHFFFAOYSA-N
MW1343.58 g/mol
LogP27.14
Rot. Bonds7

About 4-[12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazol-4-yl]-12-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole

4-[12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazol-4-yl]-12-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 167270565) has the molecular formula C96H54N4O3S and a molecular weight of 1343.58 g/mol. Its IUPAC name is 4-[12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazol-4-yl]-12-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name4-[12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazol-4-yl]-12-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
PubChem CID167270565
Molecular FormulaC96H54N4O3S
Molecular Weight1343.58 g/mol
Exact Mass1342.39
IUPAC Name4-[12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazol-4-yl]-12-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc2c(c1)oc1c2ccc2c1c1ccccc1n2-c1ccc(-c2ccc(-n3c4cccc(-c5cccc6c5c5ccc7c8ccccc8sc7c5n6-c5ccc(-c6ccc(-n7c8ccccc8c8ccc9c%10ccccc%10oc9c87)cc6)cc5)c4c4ccc5c6ccccc6oc5c43)cc2)cc1
InChIInChI=1S/C96H54N4O3S/c1-7-23-78-63(15-1)70-47-48-72-65-17-4-10-28-84(65)102-94(72)90(70)98(78)60-41-33-56(34-42-60)58-37-45-62(46-38-58)100-81-26-14-22-69(88(81)77-52-50-74-67-19-6-12-30-86(67)104-96(74)92(77)100)68-21-13-25-80-87(68)76-51-49-73-66-18-5-11-29-85(66)103-95(73)91(76)99(80)61-43-35-57(36-44-61)55-31-39-59(40-32-55)97-79-24-8-2-20-75(79)89-82(97)54-53-71-64-16-3-9-27-83(64)101-93(71)89/h1-54H
InChIKeySKLIVHIJINLMLL-UHFFFAOYSA-N
XLogP27.14
TPSA59.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001343.58
LogP ≤ 527.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazol-4-yl]-12-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole with MolForge

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

Launch Full Analysis

Related Compounds

12-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole;9-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]carbazole
CID 163531287
12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole;7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[2,3-b]carbazole;11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole;5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;14-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163511176
5-(4-dibenzofuran-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 159515126
12-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[2,3-a]carbazole;12-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole;5-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzofuro[3,2-c]carbazole;5-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 159569396
2,7-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;3,6-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;12-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-c]carbazole;12-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[2,3-a]carbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-c]carbazole;2-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 157086149
N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 118405592
3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-([1]benzothiolo[2,3-a]carbazol-12-yl)benzonitrile
CID 177276929
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
5-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylphenyl]carbazole
CID 160601837
12-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163773711
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
12-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-9-phenyl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 146533258

Frequently Asked Questions

What is the IUPAC name of 4-[12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazol-4-yl]-12-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 4-[12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazol-4-yl]-12-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole (CID 167270565) is 4-[12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazol-4-yl]-12-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 4-[12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazol-4-yl]-12-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 4-[12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazol-4-yl]-12-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole is c1ccc2c(c1)oc1c2ccc2c1c1ccccc1n2-c1ccc(-c2ccc(-n3c4cccc(-c5cccc6c5c5ccc7c8ccccc8sc7c5n6-c5ccc(-c6ccc(-n7c8ccccc8c8ccc9c%10ccccc%10oc9c87)cc6)cc5)c4c4ccc5c6ccccc6oc5c43)cc2)cc1.
What is the InChIKey of 4-[12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazol-4-yl]-12-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is SKLIVHIJINLMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H54N4O3S/c1-7-23-78-63(15-1)70-47-48-72-65-17-4-10-28-84(65)102-94(72)90(70)98(78)60-41-33-56(34-42-60)58-37-45-62(46-38-58)100-81-26-14-22-69(88(81)77-52-50-74-67-19-6-12-30-86(67)104-96(74)92(77)100)68-21-13-25-80-87(68)76-51-49-73-66-18-5-11-29-85(66)103-95(73)91(76)99(80)61-43-35-57(36-44-61)55-31-39-59(40-32-55)97-79-24-8-2-20-75(79)89-82(97)54-53-71-64-16-3-9-27-83(64)101-93(71)89/h1-54H.
What are the key properties of 4-[12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazol-4-yl]-12-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
4-[12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazol-4-yl]-12-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 1343.58 g/mol, XLogP of 27.14, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazol-4-yl]-12-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 167270565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).