5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole

C64H40N6 — CID 58570039

IUPAC5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)c34)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C64H40N6/c1-7-29-54-45(21-1)46-22-2-8-30-55(46)67(54)43-19-13-17-41(39-43)52-27-15-35-61(65-52)69-59-34-12-6-26-51(59)63-60(69)38-37-50-49-25-5-11-33-58(49)70(64(50)63)62-36-16-28-53(66-62)42-18-14-20-44(40-42)68-56-31-9-3-23-47(56)48-24-4-10-32-57(48)68/h1-40H
InChIKeyVKKNDQTWYSAGTM-UHFFFAOYSA-N
MW893.07 g/mol
LogP16.20
Rot. Bonds6

About 5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole

5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole (PubChem CID 58570039) has the molecular formula C64H40N6 and a molecular weight of 893.07 g/mol. Its IUPAC name is 5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole
PubChem CID58570039
Molecular FormulaC64H40N6
Molecular Weight893.07 g/mol
Exact Mass892.33
IUPAC Name5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)c34)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C64H40N6/c1-7-29-54-45(21-1)46-22-2-8-30-55(46)67(54)43-19-13-17-41(39-43)52-27-15-35-61(65-52)69-59-34-12-6-26-51(59)63-60(69)38-37-50-49-25-5-11-33-58(49)70(64(50)63)62-36-16-28-53(66-62)42-18-14-20-44(40-42)68-56-31-9-3-23-47(56)48-24-4-10-32-57(48)68/h1-40H
InChIKeyVKKNDQTWYSAGTM-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

5-phenyl-12-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole;5-phenyl-12-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole;5-phenyl-12-[4-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]indolo[3,2-c]carbazole;5-phenyl-12-[3-[12-(3-phenylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole;12-phenyl-5-[3-[5-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-12-yl]phenyl]indolo[3,2-c]carbazole;5-(6-phenyl-2-pyridinyl)-12-[3-[12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole
CID 160727594
5,12-bis(4-phenylphenyl)indolo[3,2-c]carbazole;12-phenyl-5-(4-phenylphenyl)indolo[3,2-c]carbazole;5-(4-phenylphenyl)-12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazole
CID 158271663
5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole;5,12-bis(6-carbazol-9-yl-2-pyridinyl)indolo[3,2-c]carbazole;5,12-bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[3,2-c]carbazole;5,12-bis[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indolo[3,2-c]carbazole;5,12-bis(6-naphthalen-1-yl-2-pyridinyl)indolo[3,2-c]carbazole;5-phenyl-12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazole
CID 161023175
5-(3-carbazol-9-ylphenyl)-11-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[3-[3-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-5-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[3-[14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]phenyl]indolo[3,2-b]carbazole
CID 159505350
5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole;12-[6-(4-isocyanophenyl)-2-pyridinyl]-5-phenylindolo[3,2-c]carbazole;7-(3-phenylphenyl)-5-(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole;7-phenyl-5-(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
CID 159953025
12-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 58570101
9-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]carbazole;9-[3-[3-[11-[3-(3-carbazol-9-ylphenyl)phenyl]triphenylen-2-yl]phenyl]phenyl]carbazole;9-[6-(3-triphenylen-2-ylphenyl)-2-pyridinyl]carbazole
CID 158139061
11-[3-(3-phenylphenyl)phenyl]-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole
CID 170268381
12-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 166922873
11-[3-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-pyridinyl]phenyl]benzo[a]carbazole
CID 144568618
5,12-bis(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazole;5,12-bis[3-(2,6-diphenyl-4-pyridinyl)phenyl]indolo[3,2-c]carbazole;5,12-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;5,12-bis[3-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-c]carbazole
CID 158376231
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593

Frequently Asked Questions

What is the IUPAC name of 5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole?
The IUPAC name of 5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole (CID 58570039) is 5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole?
The canonical SMILES for 5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole is c1cc(-c2cccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5cccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)c34)n2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole?
The InChIKey is VKKNDQTWYSAGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N6/c1-7-29-54-45(21-1)46-22-2-8-30-55(46)67(54)43-19-13-17-41(39-43)52-27-15-35-61(65-52)69-59-34-12-6-26-51(59)63-60(69)38-37-50-49-25-5-11-33-58(49)70(64(50)63)62-36-16-28-53(66-62)42-18-14-20-44(40-42)68-56-31-9-3-23-47(56)48-24-4-10-32-57(48)68/h1-40H.
What are the key properties of 5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole?
5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]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 5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 58570039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).