11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole

C63H39N7 — CID 166512002

IUPAC11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C63H39N7/c1-4-20-40(21-5-1)67-53-34-14-12-28-45(53)51-39-58-52(38-57(51)67)46-29-13-17-37-56(46)70(58)63-65-61(49-32-18-30-47-43-26-10-15-35-54(43)68(59(47)49)41-22-6-2-7-23-41)64-62(66-63)50-33-19-31-48-44-27-11-16-36-55(44)69(60(48)50)42-24-8-3-9-25-42/h1-39H
InChIKeyIEOZOIHIKAYTQB-UHFFFAOYSA-N
MW894.05 g/mol
LogP15.59
Rot. Bonds6

About 11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole

11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole (PubChem CID 166512002) has the molecular formula C63H39N7 and a molecular weight of 894.05 g/mol. Its IUPAC name is 11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole
PubChem CID166512002
Molecular FormulaC63H39N7
Molecular Weight894.05 g/mol
Exact Mass893.33
IUPAC Name11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C63H39N7/c1-4-20-40(21-5-1)67-53-34-14-12-28-45(53)51-39-58-52(38-57(51)67)46-29-13-17-37-56(46)70(58)63-65-61(49-32-18-30-47-43-26-10-15-35-54(43)68(59(47)49)41-22-6-2-7-23-41)64-62(66-63)50-33-19-31-48-44-27-11-16-36-55(44)69(60(48)50)42-24-8-3-9-25-42/h1-39H
InChIKeyIEOZOIHIKAYTQB-UHFFFAOYSA-N
XLogP15.59
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.05
LogP ≤ 515.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-phenyl-1-[4-(9-phenylcarbazol-2-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169280035
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621065
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole;11-phenyl-12-[3-[4-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole;5-phenyl-11-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 163926975
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
5-[4-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621588
2-[4-(3,5-dimethylphenyl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-7-methyl-9-phenylcarbazole
CID 162699461
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 165079921
3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 167378833
11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 169014141
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
12-[4-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163786854
4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163508167

Frequently Asked Questions

What is the IUPAC name of 11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole (CID 166512002) is 11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole?
The InChIKey is IEOZOIHIKAYTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N7/c1-4-20-40(21-5-1)67-53-34-14-12-28-45(53)51-39-58-52(38-57(51)67)46-29-13-17-37-56(46)70(58)63-65-61(49-32-18-30-47-43-26-10-15-35-54(43)68(59(47)49)41-22-6-2-7-23-41)64-62(66-63)50-33-19-31-48-44-27-11-16-36-55(44)69(60(48)50)42-24-8-3-9-25-42/h1-39H.
What are the key properties of 11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole?
11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole has a molecular weight of 894.05 g/mol, XLogP of 15.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 166512002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).