5,12-bis(3,5-dimethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)indolo[3,2-c]carbazole

C46H32N10 — CID 130353549

IUPAC5,12-bis(3,5-dimethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)indolo[3,2-c]carbazole
SMILESCc1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cc(C)c(-c5cnc6nccnc6n5)c(C)c4)c23)cc(C)c1-c1cnc2nccnc2n1
InChIInChI=1S/C46H32N10/c1-25-19-29(20-26(2)39(25)34-23-51-43-45(53-34)49-17-15-47-43)55-37-12-8-6-10-33(37)41-38(55)14-13-32-31-9-5-7-11-36(31)56(42(32)41)30-21-27(3)40(28(4)22-30)35-24-52-44-46(54-35)50-18-16-48-44/h5-24H,1-4H3
InChIKeyUDVOCCLFWBXDKY-UHFFFAOYSA-N
MW724.83 g/mol
LogP9.91
Rot. Bonds4

About 5,12-bis(3,5-dimethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)indolo[3,2-c]carbazole

5,12-bis(3,5-dimethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)indolo[3,2-c]carbazole (PubChem CID 130353549) has the molecular formula C46H32N10 and a molecular weight of 724.83 g/mol. Its IUPAC name is 5,12-bis(3,5-dimethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5,12-bis(3,5-dimethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)indolo[3,2-c]carbazole
PubChem CID130353549
Molecular FormulaC46H32N10
Molecular Weight724.83 g/mol
Exact Mass724.28
IUPAC Name5,12-bis(3,5-dimethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)indolo[3,2-c]carbazole
SMILESCc1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cc(C)c(-c5cnc6nccnc6n5)c(C)c4)c23)cc(C)c1-c1cnc2nccnc2n1
InChIInChI=1S/C46H32N10/c1-25-19-29(20-26(2)39(25)34-23-51-43-45(53-34)49-17-15-47-43)55-37-12-8-6-10-33(37)41-38(55)14-13-32-31-9-5-7-11-36(31)56(42(32)41)30-21-27(3)40(28(4)22-30)35-24-52-44-46(54-35)50-18-16-48-44/h5-24H,1-4H3
InChIKeyUDVOCCLFWBXDKY-UHFFFAOYSA-N
XLogP9.91
TPSA112.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.83
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
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
5,12-bis[2,6-di(pyren-2-yl)-4-pyridinyl]indolo[3,2-c]carbazole
CID 58029153
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-[3,5-di(carbazol-9-yl)phenyl]-12-(2,6-dinaphthalen-2-yl-4-pyridinyl)indolo[3,2-c]carbazole
CID 58029134
5,12-bis(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-(9-phenylcarbazol-3-yl)-12-(5-phenylpyrido[4,3-b]indol-8-yl)indolo[3,2-c]carbazole;5-phenyl-12-(4-pyrido[4,3-b]indol-5-ylphenyl)indolo[3,2-c]carbazole
CID 161358691
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
5,12-bis[2,3,5,6-tetramethyl-4-[4-(2,3,5,6-tetramethylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 130353539
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole
CID 134598134

Frequently Asked Questions

What is the IUPAC name of 5,12-bis(3,5-dimethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 5,12-bis(3,5-dimethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)indolo[3,2-c]carbazole (CID 130353549) is 5,12-bis(3,5-dimethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5,12-bis(3,5-dimethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 5,12-bis(3,5-dimethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)indolo[3,2-c]carbazole is Cc1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cc(C)c(-c5cnc6nccnc6n5)c(C)c4)c23)cc(C)c1-c1cnc2nccnc2n1.
What is the InChIKey of 5,12-bis(3,5-dimethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)indolo[3,2-c]carbazole?
The InChIKey is UDVOCCLFWBXDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N10/c1-25-19-29(20-26(2)39(25)34-23-51-43-45(53-34)49-17-15-47-43)55-37-12-8-6-10-33(37)41-38(55)14-13-32-31-9-5-7-11-36(31)56(42(32)41)30-21-27(3)40(28(4)22-30)35-24-52-44-46(54-35)50-18-16-48-44/h5-24H,1-4H3.
What are the key properties of 5,12-bis(3,5-dimethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)indolo[3,2-c]carbazole?
5,12-bis(3,5-dimethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)indolo[3,2-c]carbazole has a molecular weight of 724.83 g/mol, XLogP of 9.91, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis(3,5-dimethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 130353549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).