11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole

C78H50N4 — CID 170394025

IUPAC11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-n8c9ccccc9c9ccc%10c%11ccccc%11n(-c%11cccc(-c%12ccc(-c%13ccccc%13)cc%12)c%11)c%10c98)c7)c6c54)c3)cc2)cc1
InChIInChI=1S/C78H50N4/c1-3-18-51(19-4-1)53-36-40-55(41-37-53)57-22-15-24-59(48-57)79-71-32-11-7-28-63(71)67-44-46-69-65-30-9-13-34-73(65)81(77(69)75(67)79)61-26-17-27-62(50-61)82-74-35-14-10-31-66(74)70-47-45-68-64-29-8-12-33-72(64)80(76(68)78(70)82)60-25-16-23-58(49-60)56-42-38-54(39-43-56)52-20-5-2-6-21-52/h1-50H
InChIKeyJVGCSQOJEUQOII-UHFFFAOYSA-N
MW1043.29 g/mol
LogP20.74
Rot. Bonds8

About 11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole

11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole (PubChem CID 170394025) has the molecular formula C78H50N4 and a molecular weight of 1043.29 g/mol. Its IUPAC name is 11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
PubChem CID170394025
Molecular FormulaC78H50N4
Molecular Weight1043.29 g/mol
Exact Mass1042.40
IUPAC Name11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-n8c9ccccc9c9ccc%10c%11ccccc%11n(-c%11cccc(-c%12ccc(-c%13ccccc%13)cc%12)c%11)c%10c98)c7)c6c54)c3)cc2)cc1
InChIInChI=1S/C78H50N4/c1-3-18-51(19-4-1)53-36-40-55(41-37-53)57-22-15-24-59(48-57)79-71-32-11-7-28-63(71)67-44-46-69-65-30-9-13-34-73(65)81(77(69)75(67)79)61-26-17-27-62(50-61)82-74-35-14-10-31-66(74)70-47-45-68-64-29-8-12-33-72(64)80(76(68)78(70)82)60-25-16-23-58(49-60)56-42-38-54(39-43-56)52-20-5-2-6-21-52/h1-50H
InChIKeyJVGCSQOJEUQOII-UHFFFAOYSA-N
XLogP20.74
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.29
LogP ≤ 520.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 134168606
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CID 164800329
11-(9-phenylcarbazol-2-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 134168610
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
11-phenyl-12-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014169
4-(3-carbazol-9-ylphenyl)-N-[4-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118901505
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
9-[3-(7-phenyltriphenylen-2-yl)phenyl]carbazole
CID 174278174
11-(4-phenylphenyl)-12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 162362852

Frequently Asked Questions

What is the IUPAC name of 11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole?
The IUPAC name of 11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole (CID 170394025) is 11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole?
The canonical SMILES for 11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole is c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc(-n8c9ccccc9c9ccc%10c%11ccccc%11n(-c%11cccc(-c%12ccc(-c%13ccccc%13)cc%12)c%11)c%10c98)c7)c6c54)c3)cc2)cc1.
What is the InChIKey of 11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole?
The InChIKey is JVGCSQOJEUQOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50N4/c1-3-18-51(19-4-1)53-36-40-55(41-37-53)57-22-15-24-59(48-57)79-71-32-11-7-28-63(71)67-44-46-69-65-30-9-13-34-73(65)81(77(69)75(67)79)61-26-17-27-62(50-61)82-74-35-14-10-31-66(74)70-47-45-68-64-29-8-12-33-72(64)80(76(68)78(70)82)60-25-16-23-58(49-60)56-42-38-54(39-43-56)52-20-5-2-6-21-52/h1-50H.
What are the key properties of 11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole?
11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole has a molecular weight of 1043.29 g/mol, XLogP of 20.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 170394025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).