12-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole

C64H40N6 — CID 166922873

IUPAC12-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-c6cc(-n7c8ccccc8c8ccccc87)nc(-n7c8ccccc8c8ccccc87)n6)c5)c34)c2)cc1
InChIInChI=1S/C64H40N6/c1-2-18-41(19-3-1)42-20-16-22-44(38-42)67-59-35-15-9-29-52(59)62-60(67)37-36-51-50-28-8-10-30-54(50)68(63(51)62)45-23-17-21-43(39-45)53-40-61(69-55-31-11-4-24-46(55)47-25-5-12-32-56(47)69)66-64(65-53)70-57-33-13-6-26-48(57)49-27-7-14-34-58(49)70/h1-40H
InChIKeyLHTSWPCVOHCTBY-UHFFFAOYSA-N
MW893.07 g/mol
LogP16.20
Rot. Bonds6

About 12-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole

12-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 166922873) has the molecular formula C64H40N6 and a molecular weight of 893.07 g/mol. Its IUPAC name is 12-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole
PubChem CID166922873
Molecular FormulaC64H40N6
Molecular Weight893.07 g/mol
Exact Mass892.33
IUPAC Name12-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-c6cc(-n7c8ccccc8c8ccccc87)nc(-n7c8ccccc8c8ccccc87)n6)c5)c34)c2)cc1
InChIInChI=1S/C64H40N6/c1-2-18-41(19-3-1)42-20-16-22-44(38-42)67-59-35-15-9-29-52(59)62-60(67)37-36-51-50-28-8-10-30-54(50)68(63(51)62)45-23-17-21-43(39-45)53-40-61(69-55-31-11-4-24-46(55)47-25-5-12-32-56(47)69)66-64(65-53)70-57-33-13-6-26-48(57)49-27-7-14-34-58(49)70/h1-40H
InChIKeyLHTSWPCVOHCTBY-UHFFFAOYSA-N
XLogP16.20
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.07
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-phenyl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indolo[3,2-c]carbazole
CID 134169035
[4-[6-carbazol-9-yl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168842687
12-(3-phenylphenyl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 134507233
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268443
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 158138406
5-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 169014315
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 118504546
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169014428
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-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834

Frequently Asked Questions

What is the IUPAC name of 12-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 12-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole (CID 166922873) is 12-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 12-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 12-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-c6cc(-n7c8ccccc8c8ccccc87)nc(-n7c8ccccc8c8ccccc87)n6)c5)c34)c2)cc1.
What is the InChIKey of 12-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole?
The InChIKey is LHTSWPCVOHCTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N6/c1-2-18-41(19-3-1)42-20-16-22-44(38-42)67-59-35-15-9-29-52(59)62-60(67)37-36-51-50-28-8-10-30-54(50)68(63(51)62)45-23-17-21-43(39-45)53-40-61(69-55-31-11-4-24-46(55)47-25-5-12-32-56(47)69)66-64(65-53)70-57-33-13-6-26-48(57)49-27-7-14-34-58(49)70/h1-40H.
What are the key properties of 12-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole?
12-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole has a molecular weight of 893.07 g/mol, XLogP of 16.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 166922873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).