12-[3-[5-[3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrazin-2-yl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole

C112H68N10 — CID 88576955

IUPAC12-[3-[5-[3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrazin-2-yl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cc(-c6cnc(-c7cc(-n8c9ccccc9c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c98)cc(-n8c9ccccc9c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c98)c7)cn6)cc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)c5)c4c32)cc1
InChIInChI=1S/C112H68N10/c1-5-29-71(30-6-1)115-97-45-21-13-37-79(97)87-53-57-91-83-41-17-25-49-101(83)119(109(91)105(87)115)75-61-69(62-76(65-75)120-102-50-26-18-42-84(102)92-58-54-88-80-38-14-22-46-98(80)116(106(88)110(92)120)72-31-7-2-8-32-72)95-67-114-96(68-113-95)70-63-77(121-103-51-27-19-43-85(103)93-59-55-89-81-39-15-23-47-99(81)117(107(89)111(93)121)73-33-9-3-10-34-73)66-78(64-70)122-104-52-28-20-44-86(104)94-60-56-90-82-40-16-24-48-100(82)118(108(90)112(94)122)74-35-11-4-12-36-74/h1-68H
InChIKeyJHZBSJDUQARUJD-UHFFFAOYSA-N
MW1553.85 g/mol
LogP28.59
Rot. Bonds10

About 12-[3-[5-[3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrazin-2-yl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole

12-[3-[5-[3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrazin-2-yl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 88576955) has the molecular formula C112H68N10 and a molecular weight of 1553.85 g/mol. Its IUPAC name is 12-[3-[5-[3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrazin-2-yl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[3-[5-[3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrazin-2-yl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
PubChem CID88576955
Molecular FormulaC112H68N10
Molecular Weight1553.85 g/mol
Exact Mass1552.56
IUPAC Name12-[3-[5-[3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrazin-2-yl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cc(-c6cnc(-c7cc(-n8c9ccccc9c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c98)cc(-n8c9ccccc9c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c98)c7)cn6)cc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)c5)c4c32)cc1
InChIInChI=1S/C112H68N10/c1-5-29-71(30-6-1)115-97-45-21-13-37-79(97)87-53-57-91-83-41-17-25-49-101(83)119(109(91)105(87)115)75-61-69(62-76(65-75)120-102-50-26-18-42-84(102)92-58-54-88-80-38-14-22-46-98(80)116(106(88)110(92)120)72-31-7-2-8-32-72)95-67-114-96(68-113-95)70-63-77(121-103-51-27-19-43-85(103)93-59-55-89-81-39-15-23-47-99(81)117(107(89)111(93)121)73-33-9-3-10-34-73)66-78(64-70)122-104-52-28-20-44-86(104)94-60-56-90-82-40-16-24-48-100(82)118(108(90)112(94)122)74-35-11-4-12-36-74/h1-68H
InChIKeyJHZBSJDUQARUJD-UHFFFAOYSA-N
XLogP28.59
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001553.85
LogP ≤ 528.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 12-[3-[5-[3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrazin-2-yl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-[3-[5-[3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrazin-2-yl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[3-[5-[3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrazin-2-yl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole (CID 88576955) is 12-[3-[5-[3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrazin-2-yl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[3-[5-[3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrazin-2-yl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[3-[5-[3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrazin-2-yl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cc(-c6cnc(-c7cc(-n8c9ccccc9c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c98)cc(-n8c9ccccc9c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c98)c7)cn6)cc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)c5)c4c32)cc1.
What is the InChIKey of 12-[3-[5-[3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrazin-2-yl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is JHZBSJDUQARUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H68N10/c1-5-29-71(30-6-1)115-97-45-21-13-37-79(97)87-53-57-91-83-41-17-25-49-101(83)119(109(91)105(87)115)75-61-69(62-76(65-75)120-102-50-26-18-42-84(102)92-58-54-88-80-38-14-22-46-98(80)116(106(88)110(92)120)72-31-7-2-8-32-72)95-67-114-96(68-113-95)70-63-77(121-103-51-27-19-43-85(103)93-59-55-89-81-39-15-23-47-99(81)117(107(89)111(93)121)73-33-9-3-10-34-73)66-78(64-70)122-104-52-28-20-44-86(104)94-60-56-90-82-40-16-24-48-100(82)118(108(90)112(94)122)74-35-11-4-12-36-74/h1-68H.
What are the key properties of 12-[3-[5-[3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrazin-2-yl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole?
12-[3-[5-[3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrazin-2-yl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 1553.85 g/mol, XLogP of 28.59, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-[5-[3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrazin-2-yl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 88576955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).