3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

C69H43N7 — CID 168729227

IUPAC3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)n6)c5c43)cc2)cc1
InChIInChI=1S/C69H43N7/c1-4-19-44(20-5-1)45-35-37-48(38-36-45)75-63-42-39-49(73-59-31-14-10-25-50(59)51-26-11-15-32-60(51)73)43-58(63)56-41-40-55-53-28-13-17-34-62(53)76(66(55)65(56)75)69-71-67(46-21-6-2-7-22-46)70-68(72-69)57-30-18-29-54-52-27-12-16-33-61(52)74(64(54)57)47-23-8-3-9-24-47/h1-43H
InChIKeyWDYZPZDXYFVVLO-UHFFFAOYSA-N
MW970.15 g/mol
LogP17.26
Rot. Bonds7

About 3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 168729227) has the molecular formula C69H43N7 and a molecular weight of 970.15 g/mol. Its IUPAC name is 3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
PubChem CID168729227
Molecular FormulaC69H43N7
Molecular Weight970.15 g/mol
Exact Mass969.36
IUPAC Name3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)n6)c5c43)cc2)cc1
InChIInChI=1S/C69H43N7/c1-4-19-44(20-5-1)45-35-37-48(38-36-45)75-63-42-39-49(73-59-31-14-10-25-50(59)51-26-11-15-32-60(51)73)43-58(63)56-41-40-55-53-28-13-17-34-62(53)76(66(55)65(56)75)69-71-67(46-21-6-2-7-22-46)70-68(72-69)57-30-18-29-54-52-27-12-16-33-61(52)74(64(54)57)47-23-8-3-9-24-47/h1-43H
InChIKeyWDYZPZDXYFVVLO-UHFFFAOYSA-N
XLogP17.26
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.15
LogP ≤ 517.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-11-phenylindolo[2,3-a]carbazole
CID 168729522
3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729477
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-12-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 168729405
11-(2,5-diphenylphenyl)-12-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165165404
3-carbazol-9-yl-11-(2-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729444
3-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-triphenylen-2-ylphenyl)indolo[2,3-a]carbazole
CID 168729461
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 158055885
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 161432881
3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;3-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenylcarbazole;11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 157154974
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 160782385
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;11-phenyl-1-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12H-indolo[2,3-a]carbazole
CID 161157512
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazol-12-yl]-5,12-diphenylindolo[3,2-c]carbazole
CID 134598155

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The IUPAC name of 3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 168729227) is 3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)n6)c5c43)cc2)cc1.
What is the InChIKey of 3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The InChIKey is WDYZPZDXYFVVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N7/c1-4-19-44(20-5-1)45-35-37-48(38-36-45)75-63-42-39-49(73-59-31-14-10-25-50(59)51-26-11-15-32-60(51)73)43-58(63)56-41-40-55-53-28-13-17-34-62(53)76(66(55)65(56)75)69-71-67(46-21-6-2-7-22-46)70-68(72-69)57-30-18-29-54-52-27-12-16-33-61(52)74(64(54)57)47-23-8-3-9-24-47/h1-43H.
What are the key properties of 3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 970.15 g/mol, XLogP of 17.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 168729227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).