12-(1,8a-dihydroquinolin-4-yl)-5-[2,6-di(carbazol-9-yl)-4-pyridinyl]indolo[3,2-c]carbazole

C56H36N6 — CID 89094978

IUPAC12-(1,8a-dihydroquinolin-4-yl)-5-[2,6-di(carbazol-9-yl)-4-pyridinyl]indolo[3,2-c]carbazole
SMILESC1=CC2=C(n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)c5)c43)C=CNC2C=C1
InChIInChI=1S/C56H36N6/c1-8-22-44-42(20-1)51(31-32-57-44)62-49-27-13-6-19-40(49)41-29-30-52-55(56(41)62)43-21-7-14-28-50(43)59(52)35-33-53(60-45-23-9-2-15-36(45)37-16-3-10-24-46(37)60)58-54(34-35)61-47-25-11-4-17-38(47)39-18-5-12-26-48(39)61/h1-34,44,57H
InChIKeyNIJIZOJQLXROCQ-UHFFFAOYSA-N
MW792.95 g/mol
LogP13.30
Rot. Bonds4

About 12-(1,8a-dihydroquinolin-4-yl)-5-[2,6-di(carbazol-9-yl)-4-pyridinyl]indolo[3,2-c]carbazole

12-(1,8a-dihydroquinolin-4-yl)-5-[2,6-di(carbazol-9-yl)-4-pyridinyl]indolo[3,2-c]carbazole (PubChem CID 89094978) has the molecular formula C56H36N6 and a molecular weight of 792.95 g/mol. Its IUPAC name is 12-(1,8a-dihydroquinolin-4-yl)-5-[2,6-di(carbazol-9-yl)-4-pyridinyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(1,8a-dihydroquinolin-4-yl)-5-[2,6-di(carbazol-9-yl)-4-pyridinyl]indolo[3,2-c]carbazole
PubChem CID89094978
Molecular FormulaC56H36N6
Molecular Weight792.95 g/mol
Exact Mass792.30
IUPAC Name12-(1,8a-dihydroquinolin-4-yl)-5-[2,6-di(carbazol-9-yl)-4-pyridinyl]indolo[3,2-c]carbazole
SMILESC1=CC2=C(n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)c5)c43)C=CNC2C=C1
InChIInChI=1S/C56H36N6/c1-8-22-44-42(20-1)51(31-32-57-44)62-49-27-13-6-19-40(49)41-29-30-52-55(56(41)62)43-21-7-14-28-50(43)59(52)35-33-53(60-45-23-9-2-15-36(45)37-16-3-10-24-46(37)60)58-54(34-35)61-47-25-11-4-17-38(47)39-18-5-12-26-48(39)61/h1-34,44,57H
InChIKeyNIJIZOJQLXROCQ-UHFFFAOYSA-N
XLogP13.30
TPSA44.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.95
LogP ≤ 513.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 159211280
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
5,12-bis[2,6-di(pyren-2-yl)-4-pyridinyl]indolo[3,2-c]carbazole
CID 58029153
12-(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-c]carbazole
CID 144650064
3-carbazol-9-yl-N,N-diphenyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)aniline
CID 170133412
5-[3,5-di(carbazol-9-yl)phenyl]-12-(2,6-dinaphthalen-2-yl-4-pyridinyl)indolo[3,2-c]carbazole
CID 58029134
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole
CID 58570039
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 123926363
5-phenyl-12-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]indolo[3,2-c]carbazole
CID 71291270
5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole
CID 88917489

Frequently Asked Questions

What is the IUPAC name of 12-(1,8a-dihydroquinolin-4-yl)-5-[2,6-di(carbazol-9-yl)-4-pyridinyl]indolo[3,2-c]carbazole?
The IUPAC name of 12-(1,8a-dihydroquinolin-4-yl)-5-[2,6-di(carbazol-9-yl)-4-pyridinyl]indolo[3,2-c]carbazole (CID 89094978) is 12-(1,8a-dihydroquinolin-4-yl)-5-[2,6-di(carbazol-9-yl)-4-pyridinyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 12-(1,8a-dihydroquinolin-4-yl)-5-[2,6-di(carbazol-9-yl)-4-pyridinyl]indolo[3,2-c]carbazole?
The canonical SMILES for 12-(1,8a-dihydroquinolin-4-yl)-5-[2,6-di(carbazol-9-yl)-4-pyridinyl]indolo[3,2-c]carbazole is C1=CC2=C(n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)c5)c43)C=CNC2C=C1.
What is the InChIKey of 12-(1,8a-dihydroquinolin-4-yl)-5-[2,6-di(carbazol-9-yl)-4-pyridinyl]indolo[3,2-c]carbazole?
The InChIKey is NIJIZOJQLXROCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6/c1-8-22-44-42(20-1)51(31-32-57-44)62-49-27-13-6-19-40(49)41-29-30-52-55(56(41)62)43-21-7-14-28-50(43)59(52)35-33-53(60-45-23-9-2-15-36(45)37-16-3-10-24-46(37)60)58-54(34-35)61-47-25-11-4-17-38(47)39-18-5-12-26-48(39)61/h1-34,44,57H.
What are the key properties of 12-(1,8a-dihydroquinolin-4-yl)-5-[2,6-di(carbazol-9-yl)-4-pyridinyl]indolo[3,2-c]carbazole?
12-(1,8a-dihydroquinolin-4-yl)-5-[2,6-di(carbazol-9-yl)-4-pyridinyl]indolo[3,2-c]carbazole has a molecular weight of 792.95 g/mol, XLogP of 13.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(1,8a-dihydroquinolin-4-yl)-5-[2,6-di(carbazol-9-yl)-4-pyridinyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 89094978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).