5,12-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole

C66H40N6 — CID 58029076

IUPAC5,12-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole
SMILESc1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6nc(-c7ccc8ccccc8c7)cc(-c7ccc8ccccc8c7)n6)c45)n3)ccc2c1
InChIInChI=1S/C66H40N6/c1-5-17-45-35-49(29-25-41(45)13-1)56-39-57(50-30-26-42-14-2-6-18-46(42)36-50)68-65(67-56)71-61-24-12-10-22-55(61)63-62(71)34-33-54-53-21-9-11-23-60(53)72(64(54)63)66-69-58(51-31-27-43-15-3-7-19-47(43)37-51)40-59(70-66)52-32-28-44-16-4-8-20-48(44)38-52/h1-40H
InChIKeyIUXRMRRHVXEZNO-UHFFFAOYSA-N
MW917.09 g/mol
LogP16.74
Rot. Bonds6

About 5,12-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole

5,12-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole (PubChem CID 58029076) has the molecular formula C66H40N6 and a molecular weight of 917.09 g/mol. Its IUPAC name is 5,12-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5,12-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole
PubChem CID58029076
Molecular FormulaC66H40N6
Molecular Weight917.09 g/mol
Exact Mass916.33
IUPAC Name5,12-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole
SMILESc1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6nc(-c7ccc8ccccc8c7)cc(-c7ccc8ccccc8c7)n6)c45)n3)ccc2c1
InChIInChI=1S/C66H40N6/c1-5-17-45-35-49(29-25-41(45)13-1)56-39-57(50-30-26-42-14-2-6-18-46(42)36-50)68-65(67-56)71-61-24-12-10-22-55(61)63-62(71)34-33-54-53-21-9-11-23-60(53)72(64(54)63)66-69-58(51-31-27-43-15-3-7-19-47(43)37-51)40-59(70-66)52-32-28-44-16-4-8-20-48(44)38-52/h1-40H
InChIKeyIUXRMRRHVXEZNO-UHFFFAOYSA-N
XLogP16.74
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.09
LogP ≤ 516.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,12-bis(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
CID 58029103
9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 140913933
5-[3,5-di(carbazol-9-yl)phenyl]-12-(2,6-dinaphthalen-2-yl-4-pyridinyl)indolo[3,2-c]carbazole
CID 58029134
9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 140913825
5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155240808
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
12-phenyl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indolo[3,2-c]carbazole
CID 134169035
12-[6-(2-naphthalen-2-yl-6-phenyl-4-pyridinyl)naphthalen-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 155240145
9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 140913725
12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 161105054
9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 118361300
5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-naphthalen-1-ylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-naphthalen-2-ylindolo[3,2-c]carbazole;12-[4,6-di(pyren-2-yl)pyrimidin-2-yl]-5-(4-phenyl-6-pyren-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole
CID 158993970

Frequently Asked Questions

What is the IUPAC name of 5,12-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole?
The IUPAC name of 5,12-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole (CID 58029076) is 5,12-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5,12-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole?
The canonical SMILES for 5,12-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole is c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6nc(-c7ccc8ccccc8c7)cc(-c7ccc8ccccc8c7)n6)c45)n3)ccc2c1.
What is the InChIKey of 5,12-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole?
The InChIKey is IUXRMRRHVXEZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N6/c1-5-17-45-35-49(29-25-41(45)13-1)56-39-57(50-30-26-42-14-2-6-18-46(42)36-50)68-65(67-56)71-61-24-12-10-22-55(61)63-62(71)34-33-54-53-21-9-11-23-60(53)72(64(54)63)66-69-58(51-31-27-43-15-3-7-19-47(43)37-51)40-59(70-66)52-32-28-44-16-4-8-20-48(44)38-52/h1-40H.
What are the key properties of 5,12-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole?
5,12-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole has a molecular weight of 917.09 g/mol, XLogP of 16.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 58029076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).