5-[3,5-bis[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]phenyl]-11,12-diphenylindolo[2,3-a]carbazole

C68H44N6 — CID 164785763

IUPAC5-[3,5-bis[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]phenyl]-11,12-diphenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cccc(-c6cccc(-c7ccncc7)n6)c5)cc(-c5cccc(-c6cccc(-c7ccncc7)n6)c5)c4)c4c5ccccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C68H44N6/c1-3-19-54(20-4-1)73-64-29-9-7-23-56(64)59-44-58(66-57-24-8-10-30-65(57)74(68(66)67(59)73)55-21-5-2-6-22-55)53-42-51(47-15-11-17-49(39-47)62-27-13-25-60(71-62)45-31-35-69-36-32-45)41-52(43-53)48-16-12-18-50(40-48)63-28-14-26-61(72-63)46-33-37-70-38-34-46/h1-44H
InChIKeyMCFUXNMIHJUTAY-UHFFFAOYSA-N
MW945.14 g/mol
LogP17.13
Rot. Bonds9

About 5-[3,5-bis[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]phenyl]-11,12-diphenylindolo[2,3-a]carbazole

5-[3,5-bis[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]phenyl]-11,12-diphenylindolo[2,3-a]carbazole (PubChem CID 164785763) has the molecular formula C68H44N6 and a molecular weight of 945.14 g/mol. Its IUPAC name is 5-[3,5-bis[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]phenyl]-11,12-diphenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name5-[3,5-bis[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]phenyl]-11,12-diphenylindolo[2,3-a]carbazole
PubChem CID164785763
Molecular FormulaC68H44N6
Molecular Weight945.14 g/mol
Exact Mass944.36
IUPAC Name5-[3,5-bis[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]phenyl]-11,12-diphenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cccc(-c6cccc(-c7ccncc7)n6)c5)cc(-c5cccc(-c6cccc(-c7ccncc7)n6)c5)c4)c4c5ccccc5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C68H44N6/c1-3-19-54(20-4-1)73-64-29-9-7-23-56(64)59-44-58(66-57-24-8-10-30-65(57)74(68(66)67(59)73)55-21-5-2-6-22-55)53-42-51(47-15-11-17-49(39-47)62-27-13-25-60(71-62)45-31-35-69-36-32-45)41-52(43-53)48-16-12-18-50(40-48)63-28-14-26-61(72-63)46-33-37-70-38-34-46/h1-44H
InChIKeyMCFUXNMIHJUTAY-UHFFFAOYSA-N
XLogP17.13
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.14
LogP ≤ 517.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,11-diphenyl-12-[6-phenyl-4-[4-(3-phenylphenyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole
CID 170255430
11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5-(3-carbazol-9-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;5-(4-carbazol-9-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;11-phenyl-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole
CID 160763291
11,12-diphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[2,3-a]carbazole
CID 138736516
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-5-[3-[6-phenyl-2-[11-phenyl-5-[3-[6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazol-12-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 154982787
5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
CID 170255412
5-phenyl-11-(4-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
CID 170255419
5,11-diphenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255259
9-[4-[3-[6-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-2-pyridinyl]phenyl]phenyl]carbazole
CID 58943592
3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-4-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 144537302
5-phenyl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255377
5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255408
12-(4-phenylphenyl)-11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-triphenylen-2-ylindolo[2,3-a]carbazole
CID 170255342

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]phenyl]-11,12-diphenylindolo[2,3-a]carbazole?
The IUPAC name of 5-[3,5-bis[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]phenyl]-11,12-diphenylindolo[2,3-a]carbazole (CID 164785763) is 5-[3,5-bis[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]phenyl]-11,12-diphenylindolo[2,3-a]carbazole.
What is the SMILES notation for 5-[3,5-bis[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]phenyl]-11,12-diphenylindolo[2,3-a]carbazole?
The canonical SMILES for 5-[3,5-bis[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]phenyl]-11,12-diphenylindolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cccc(-c6cccc(-c7ccncc7)n6)c5)cc(-c5cccc(-c6cccc(-c7ccncc7)n6)c5)c4)c4c5ccccc5n(-c5ccccc5)c4c32)cc1.
What is the InChIKey of 5-[3,5-bis[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]phenyl]-11,12-diphenylindolo[2,3-a]carbazole?
The InChIKey is MCFUXNMIHJUTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N6/c1-3-19-54(20-4-1)73-64-29-9-7-23-56(64)59-44-58(66-57-24-8-10-30-65(57)74(68(66)67(59)73)55-21-5-2-6-22-55)53-42-51(47-15-11-17-49(39-47)62-27-13-25-60(71-62)45-31-35-69-36-32-45)41-52(43-53)48-16-12-18-50(40-48)63-28-14-26-61(72-63)46-33-37-70-38-34-46/h1-44H.
What are the key properties of 5-[3,5-bis[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]phenyl]-11,12-diphenylindolo[2,3-a]carbazole?
5-[3,5-bis[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]phenyl]-11,12-diphenylindolo[2,3-a]carbazole has a molecular weight of 945.14 g/mol, XLogP of 17.13, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]phenyl]-11,12-diphenylindolo[2,3-a]carbazole is sourced from PubChem (CID 164785763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).