3-[3-[5-([1]benzofuro[2,3-a]carbazol-12-yl)benzimidazol-1-yl]phenyl]-12-[6-[4-[12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazol-5-yl]phenyl]-1,3-benzothiazol-4-yl]-[1]benzofuro[2,3-a]carbazole

C93H51N7O4S — CID 146407209

IUPAC3-[3-[5-([1]benzofuro[2,3-a]carbazol-12-yl)benzimidazol-1-yl]phenyl]-12-[6-[4-[12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazol-5-yl]phenyl]-1,3-benzothiazol-4-yl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c(-c5ccc(-c6cc(-n7c8ccc(-c9cccc(-n%10cnc%11cc(-n%12c%13ccccc%13c%13ccc%14c%15ccccc%15oc%14c%13%12)ccc%11%10)c9)cc8c8ccc9c%10ccccc%10oc9c87)c7ncsc7c6)cc5)cc5c6ccccc6oc5c43)c3ncoc3c2)cc1
InChIInChI=1S/C93H51N7O4S/c1-2-15-52(16-3-1)57-43-78(86-83(45-57)101-50-95-86)100-75-25-10-5-23-69(75)85-70(48-72-64-22-8-13-28-82(64)104-93(72)90(85)100)54-31-29-53(30-32-54)58-44-79(87-84(46-58)105-51-96-87)99-76-39-33-56(42-71(76)66-36-38-68-63-21-7-12-27-81(63)103-92(68)89(66)99)55-17-14-18-59(41-55)97-49-94-73-47-60(34-40-77(73)97)98-74-24-9-4-19-61(74)65-35-37-67-62-20-6-11-26-80(62)102-91(67)88(65)98/h1-51H
InChIKeyFNNMSDADWQRPNN-UHFFFAOYSA-N
MW1362.54 g/mol
LogP25.43
Rot. Bonds8

About 3-[3-[5-([1]benzofuro[2,3-a]carbazol-12-yl)benzimidazol-1-yl]phenyl]-12-[6-[4-[12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazol-5-yl]phenyl]-1,3-benzothiazol-4-yl]-[1]benzofuro[2,3-a]carbazole

3-[3-[5-([1]benzofuro[2,3-a]carbazol-12-yl)benzimidazol-1-yl]phenyl]-12-[6-[4-[12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazol-5-yl]phenyl]-1,3-benzothiazol-4-yl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 146407209) has the molecular formula C93H51N7O4S and a molecular weight of 1362.54 g/mol. Its IUPAC name is 3-[3-[5-([1]benzofuro[2,3-a]carbazol-12-yl)benzimidazol-1-yl]phenyl]-12-[6-[4-[12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazol-5-yl]phenyl]-1,3-benzothiazol-4-yl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name3-[3-[5-([1]benzofuro[2,3-a]carbazol-12-yl)benzimidazol-1-yl]phenyl]-12-[6-[4-[12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazol-5-yl]phenyl]-1,3-benzothiazol-4-yl]-[1]benzofuro[2,3-a]carbazole
PubChem CID146407209
Molecular FormulaC93H51N7O4S
Molecular Weight1362.54 g/mol
Exact Mass1361.37
IUPAC Name3-[3-[5-([1]benzofuro[2,3-a]carbazol-12-yl)benzimidazol-1-yl]phenyl]-12-[6-[4-[12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazol-5-yl]phenyl]-1,3-benzothiazol-4-yl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c(-c5ccc(-c6cc(-n7c8ccc(-c9cccc(-n%10cnc%11cc(-n%12c%13ccccc%13c%13ccc%14c%15ccccc%15oc%14c%13%12)ccc%11%10)c9)cc8c8ccc9c%10ccccc%10oc9c87)c7ncsc7c6)cc5)cc5c6ccccc6oc5c43)c3ncoc3c2)cc1
InChIInChI=1S/C93H51N7O4S/c1-2-15-52(16-3-1)57-43-78(86-83(45-57)101-50-95-86)100-75-25-10-5-23-69(75)85-70(48-72-64-22-8-13-28-82(64)104-93(72)90(85)100)54-31-29-53(30-32-54)58-44-79(87-84(46-58)105-51-96-87)99-76-39-33-56(42-71(76)66-36-38-68-63-21-7-12-27-81(63)103-92(68)89(66)99)55-17-14-18-59(41-55)97-49-94-73-47-60(34-40-77(73)97)98-74-24-9-4-19-61(74)65-35-37-67-62-20-6-11-26-80(62)102-91(67)88(65)98/h1-51H
InChIKeyFNNMSDADWQRPNN-UHFFFAOYSA-N
XLogP25.43
TPSA110.95 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001362.54
LogP ≤ 525.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-[3-[5-([1]benzofuro[2,3-a]carbazol-12-yl)benzimidazol-1-yl]phenyl]-12-[6-[4-[12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazol-5-yl]phenyl]-1,3-benzothiazol-4-yl]-[1]benzofuro[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-([1]benzofuro[2,3-a]carbazol-12-yl)benzimidazol-1-yl]phenyl]-12-[6-[4-[12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazol-5-yl]phenyl]-1,3-benzothiazol-4-yl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 3-[3-[5-([1]benzofuro[2,3-a]carbazol-12-yl)benzimidazol-1-yl]phenyl]-12-[6-[4-[12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazol-5-yl]phenyl]-1,3-benzothiazol-4-yl]-[1]benzofuro[2,3-a]carbazole (CID 146407209) is 3-[3-[5-([1]benzofuro[2,3-a]carbazol-12-yl)benzimidazol-1-yl]phenyl]-12-[6-[4-[12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazol-5-yl]phenyl]-1,3-benzothiazol-4-yl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 3-[3-[5-([1]benzofuro[2,3-a]carbazol-12-yl)benzimidazol-1-yl]phenyl]-12-[6-[4-[12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazol-5-yl]phenyl]-1,3-benzothiazol-4-yl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 3-[3-[5-([1]benzofuro[2,3-a]carbazol-12-yl)benzimidazol-1-yl]phenyl]-12-[6-[4-[12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazol-5-yl]phenyl]-1,3-benzothiazol-4-yl]-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4c(-c5ccc(-c6cc(-n7c8ccc(-c9cccc(-n%10cnc%11cc(-n%12c%13ccccc%13c%13ccc%14c%15ccccc%15oc%14c%13%12)ccc%11%10)c9)cc8c8ccc9c%10ccccc%10oc9c87)c7ncsc7c6)cc5)cc5c6ccccc6oc5c43)c3ncoc3c2)cc1.
What is the InChIKey of 3-[3-[5-([1]benzofuro[2,3-a]carbazol-12-yl)benzimidazol-1-yl]phenyl]-12-[6-[4-[12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazol-5-yl]phenyl]-1,3-benzothiazol-4-yl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is FNNMSDADWQRPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H51N7O4S/c1-2-15-52(16-3-1)57-43-78(86-83(45-57)101-50-95-86)100-75-25-10-5-23-69(75)85-70(48-72-64-22-8-13-28-82(64)104-93(72)90(85)100)54-31-29-53(30-32-54)58-44-79(87-84(46-58)105-51-96-87)99-76-39-33-56(42-71(76)66-36-38-68-63-21-7-12-27-81(63)103-92(68)89(66)99)55-17-14-18-59(41-55)97-49-94-73-47-60(34-40-77(73)97)98-74-24-9-4-19-61(74)65-35-37-67-62-20-6-11-26-80(62)102-91(67)88(65)98/h1-51H.
What are the key properties of 3-[3-[5-([1]benzofuro[2,3-a]carbazol-12-yl)benzimidazol-1-yl]phenyl]-12-[6-[4-[12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazol-5-yl]phenyl]-1,3-benzothiazol-4-yl]-[1]benzofuro[2,3-a]carbazole?
3-[3-[5-([1]benzofuro[2,3-a]carbazol-12-yl)benzimidazol-1-yl]phenyl]-12-[6-[4-[12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazol-5-yl]phenyl]-1,3-benzothiazol-4-yl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 1362.54 g/mol, XLogP of 25.43, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-([1]benzofuro[2,3-a]carbazol-12-yl)benzimidazol-1-yl]phenyl]-12-[6-[4-[12-(6-phenyl-1,3-benzoxazol-4-yl)-[1]benzofuro[2,3-a]carbazol-5-yl]phenyl]-1,3-benzothiazol-4-yl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 146407209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).