6-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole

C57H36N6 — CID 168729171

IUPAC6-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)c5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)c2)cc1
InChIInChI=1S/C57H36N6/c1-4-19-37(20-5-1)40-25-18-26-41(35-40)61-47-31-14-12-29-44(47)46-36-51(62-48-32-15-10-27-42(48)43-28-11-16-33-49(43)62)54-52(53(46)61)45-30-13-17-34-50(45)63(54)57-59-55(38-21-6-2-7-22-38)58-56(60-57)39-23-8-3-9-24-39/h1-36H
InChIKeyAJIDSBKLUDULTI-UHFFFAOYSA-N
MW804.96 g/mol
LogP14.16
Rot. Bonds6

About 6-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole

6-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 168729171) has the molecular formula C57H36N6 and a molecular weight of 804.96 g/mol. Its IUPAC name is 6-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name6-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
PubChem CID168729171
Molecular FormulaC57H36N6
Molecular Weight804.96 g/mol
Exact Mass804.30
IUPAC Name6-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)c5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)c2)cc1
InChIInChI=1S/C57H36N6/c1-4-19-37(20-5-1)40-25-18-26-41(35-40)61-47-31-14-12-29-44(47)46-36-51(62-48-32-15-10-27-42(48)43-28-11-16-33-49(43)62)54-52(53(46)61)45-30-13-17-34-50(45)63(54)57-59-55(38-21-6-2-7-22-38)58-56(60-57)39-23-8-3-9-24-39/h1-36H
InChIKeyAJIDSBKLUDULTI-UHFFFAOYSA-N
XLogP14.16
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.96
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-carbazol-9-yl-5-phenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 168729529
5-carbazol-9-yl-12-(3-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729219
5-carbazol-9-yl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729596
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 118504546
5-carbazol-9-yl-11-(4-phenylphenyl)-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729290
12-(3-phenylphenyl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 134507233
5-phenyl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255377
5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255408
12-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 170268449
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169037529
11-(3-phenylphenyl)-12-[4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167203855
12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169037526

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 6-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole (CID 168729171) is 6-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 6-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 6-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)c5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c43)c2)cc1.
What is the InChIKey of 6-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The InChIKey is AJIDSBKLUDULTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N6/c1-4-19-37(20-5-1)40-25-18-26-41(35-40)61-47-31-14-12-29-44(47)46-36-51(62-48-32-15-10-27-42(48)43-28-11-16-33-49(43)62)54-52(53(46)61)45-30-13-17-34-50(45)63(54)57-59-55(38-21-6-2-7-22-38)58-56(60-57)39-23-8-3-9-24-39/h1-36H.
What are the key properties of 6-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
6-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole has a molecular weight of 804.96 g/mol, XLogP of 14.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 168729171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).