2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-[4-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-diphenylfluoren-2-yl)phenyl]carbazol-3-yl]-1,3-benzothiazol-7-yl]naphthalen-2-yl]-1,3-benzoxazole

C106H62N8O2S2 — CID 155366457

IUPAC2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-[4-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-diphenylfluoren-2-yl)phenyl]carbazol-3-yl]-1,3-benzothiazol-7-yl]naphthalen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-n2c(-n3c4ccc(-c5nc6ccc(-c7cc(-c8cccc9nc(-c%10ccc%11c(c%10)c%10cc(-c%12nc%13ccccc%13o%12)ccc%10n%11-c%10ccc(-c%11ccc%12c(c%11)C(c%11ccccc%11)(c%11ccccc%11)c%11ccccc%11-%12)cc%10)sc89)c8ccccc8c7)cc6o5)cc4c4cc(-c5nc6ccccc6s5)ccc43)nc3ccccc32)cc1
InChIInChI=1S/C106H62N8O2S2/c1-4-22-72(23-5-1)106(73-24-6-2-7-25-73)85-31-13-12-29-77(85)78-49-41-64(61-86(78)106)63-39-47-75(48-40-63)112-92-51-43-67(101-107-88-33-15-18-37-97(88)115-101)56-81(92)83-59-70(45-53-93(83)112)104-110-91-35-20-30-79(100(91)118-104)80-60-71(55-66-21-10-11-28-76(66)80)65-42-50-89-98(62-65)116-102(108-89)68-44-52-94-82(57-68)84-58-69(103-109-90-34-16-19-38-99(90)117-103)46-54-95(84)114(94)105-111-87-32-14-17-36-96(87)113(105)74-26-8-3-9-27-74/h1-62H
InChIKeyHSDUOUUDVFOUNG-UHFFFAOYSA-N
MW1543.85 g/mol
LogP27.91
Rot. Bonds12

About 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-[4-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-diphenylfluoren-2-yl)phenyl]carbazol-3-yl]-1,3-benzothiazol-7-yl]naphthalen-2-yl]-1,3-benzoxazole

2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-[4-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-diphenylfluoren-2-yl)phenyl]carbazol-3-yl]-1,3-benzothiazol-7-yl]naphthalen-2-yl]-1,3-benzoxazole (PubChem CID 155366457) has the molecular formula C106H62N8O2S2 and a molecular weight of 1543.85 g/mol. Its IUPAC name is 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-[4-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-diphenylfluoren-2-yl)phenyl]carbazol-3-yl]-1,3-benzothiazol-7-yl]naphthalen-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-[4-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-diphenylfluoren-2-yl)phenyl]carbazol-3-yl]-1,3-benzothiazol-7-yl]naphthalen-2-yl]-1,3-benzoxazole
PubChem CID155366457
Molecular FormulaC106H62N8O2S2
Molecular Weight1543.85 g/mol
Exact Mass1542.44
IUPAC Name2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-[4-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-diphenylfluoren-2-yl)phenyl]carbazol-3-yl]-1,3-benzothiazol-7-yl]naphthalen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-n2c(-n3c4ccc(-c5nc6ccc(-c7cc(-c8cccc9nc(-c%10ccc%11c(c%10)c%10cc(-c%12nc%13ccccc%13o%12)ccc%10n%11-c%10ccc(-c%11ccc%12c(c%11)C(c%11ccccc%11)(c%11ccccc%11)c%11ccccc%11-%12)cc%10)sc89)c8ccccc8c7)cc6o5)cc4c4cc(-c5nc6ccccc6s5)ccc43)nc3ccccc32)cc1
InChIInChI=1S/C106H62N8O2S2/c1-4-22-72(23-5-1)106(73-24-6-2-7-25-73)85-31-13-12-29-77(85)78-49-41-64(61-86(78)106)63-39-47-75(48-40-63)112-92-51-43-67(101-107-88-33-15-18-37-97(88)115-101)56-81(92)83-59-70(45-53-93(83)112)104-110-91-35-20-30-79(100(91)118-104)80-60-71(55-66-21-10-11-28-76(66)80)65-42-50-89-98(62-65)116-102(108-89)68-44-52-94-82(57-68)84-58-69(103-109-90-34-16-19-38-99(90)117-103)46-54-95(84)114(94)105-111-87-32-14-17-36-96(87)113(105)74-26-8-3-9-27-74/h1-62H
InChIKeyHSDUOUUDVFOUNG-UHFFFAOYSA-N
XLogP27.91
TPSA105.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001543.85
LogP ≤ 527.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-[4-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-diphenylfluoren-2-yl)phenyl]carbazol-3-yl]-1,3-benzothiazol-7-yl]naphthalen-2-yl]-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-[4-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-diphenylfluoren-2-yl)phenyl]carbazol-3-yl]-1,3-benzothiazol-7-yl]naphthalen-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-[4-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-diphenylfluoren-2-yl)phenyl]carbazol-3-yl]-1,3-benzothiazol-7-yl]naphthalen-2-yl]-1,3-benzoxazole (CID 155366457) is 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-[4-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-diphenylfluoren-2-yl)phenyl]carbazol-3-yl]-1,3-benzothiazol-7-yl]naphthalen-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-[4-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-diphenylfluoren-2-yl)phenyl]carbazol-3-yl]-1,3-benzothiazol-7-yl]naphthalen-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-[4-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-diphenylfluoren-2-yl)phenyl]carbazol-3-yl]-1,3-benzothiazol-7-yl]naphthalen-2-yl]-1,3-benzoxazole is c1ccc(-n2c(-n3c4ccc(-c5nc6ccc(-c7cc(-c8cccc9nc(-c%10ccc%11c(c%10)c%10cc(-c%12nc%13ccccc%13o%12)ccc%10n%11-c%10ccc(-c%11ccc%12c(c%11)C(c%11ccccc%11)(c%11ccccc%11)c%11ccccc%11-%12)cc%10)sc89)c8ccccc8c7)cc6o5)cc4c4cc(-c5nc6ccccc6s5)ccc43)nc3ccccc32)cc1.
What is the InChIKey of 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-[4-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-diphenylfluoren-2-yl)phenyl]carbazol-3-yl]-1,3-benzothiazol-7-yl]naphthalen-2-yl]-1,3-benzoxazole?
The InChIKey is HSDUOUUDVFOUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H62N8O2S2/c1-4-22-72(23-5-1)106(73-24-6-2-7-25-73)85-31-13-12-29-77(85)78-49-41-64(61-86(78)106)63-39-47-75(48-40-63)112-92-51-43-67(101-107-88-33-15-18-37-97(88)115-101)56-81(92)83-59-70(45-53-93(83)112)104-110-91-35-20-30-79(100(91)118-104)80-60-71(55-66-21-10-11-28-76(66)80)65-42-50-89-98(62-65)116-102(108-89)68-44-52-94-82(57-68)84-58-69(103-109-90-34-16-19-38-99(90)117-103)46-54-95(84)114(94)105-111-87-32-14-17-36-96(87)113(105)74-26-8-3-9-27-74/h1-62H.
What are the key properties of 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-[4-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-diphenylfluoren-2-yl)phenyl]carbazol-3-yl]-1,3-benzothiazol-7-yl]naphthalen-2-yl]-1,3-benzoxazole?
2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-[4-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-diphenylfluoren-2-yl)phenyl]carbazol-3-yl]-1,3-benzothiazol-7-yl]naphthalen-2-yl]-1,3-benzoxazole has a molecular weight of 1543.85 g/mol, XLogP of 27.91, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-[4-[2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9,9-diphenylfluoren-2-yl)phenyl]carbazol-3-yl]-1,3-benzothiazol-7-yl]naphthalen-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 155366457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).