12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole

C53H35N3 — CID 58142311

IUPAC12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccc4c5cc(-c6ccccc6)ccc5n(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4c2n3-c2ccccc2)cc1
InChIInChI=1S/C53H35N3/c1-6-16-36(17-7-1)40-26-30-50-46(32-40)44-28-29-45-47-33-41(37-18-8-2-9-19-37)27-31-51(47)56(53(45)52(44)55(50)42-24-14-5-15-25-42)43-34-48(38-20-10-3-11-21-38)54-49(35-43)39-22-12-4-13-23-39/h1-35H
InChIKeyHFMFKKUWUGRBGK-UHFFFAOYSA-N
MW713.88 g/mol
LogP13.94
Rot. Bonds6

About 12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole

12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole (PubChem CID 58142311) has the molecular formula C53H35N3 and a molecular weight of 713.88 g/mol. Its IUPAC name is 12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole
PubChem CID58142311
Molecular FormulaC53H35N3
Molecular Weight713.88 g/mol
Exact Mass713.28
IUPAC Name12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccc4c5cc(-c6ccccc6)ccc5n(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4c2n3-c2ccccc2)cc1
InChIInChI=1S/C53H35N3/c1-6-16-36(17-7-1)40-26-30-50-46(32-40)44-28-29-45-47-33-41(37-18-8-2-9-19-37)27-31-51(47)56(53(45)52(44)55(50)42-24-14-5-15-25-42)43-34-48(38-20-10-3-11-21-38)54-49(35-43)39-22-12-4-13-23-39/h1-35H
InChIKeyHFMFKKUWUGRBGK-UHFFFAOYSA-N
XLogP13.94
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole
CID 118041109
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935
3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6,9-diphenylcarbazole
CID 58943233
12-(2,6-diphenyl-4-pyridinyl)-3,8-diphenyl-11-pyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-di(pyrimidin-2-yl)indolo[2,3-a]carbazole
CID 159021773
3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-phenylcarbazole;2-[4-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine;2-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161363967
12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole
CID 118318986
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 161437197
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511300
12-(3-phenylphenyl)-11-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385286
3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164799955
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573

Frequently Asked Questions

What is the IUPAC name of 12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole?
The IUPAC name of 12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole (CID 58142311) is 12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole is c1ccc(-c2ccc3c(c2)c2ccc4c5cc(-c6ccccc6)ccc5n(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4c2n3-c2ccccc2)cc1.
What is the InChIKey of 12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole?
The InChIKey is HFMFKKUWUGRBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3/c1-6-16-36(17-7-1)40-26-30-50-46(32-40)44-28-29-45-47-33-41(37-18-8-2-9-19-37)27-31-51(47)56(53(45)52(44)55(50)42-24-14-5-15-25-42)43-34-48(38-20-10-3-11-21-38)54-49(35-43)39-22-12-4-13-23-39/h1-35H.
What are the key properties of 12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole?
12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole has a molecular weight of 713.88 g/mol, XLogP of 13.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole is sourced from PubChem (CID 58142311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).