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

C61H39N5 — CID 168835067

IUPAC11-(4-naphthalen-2-yl-2-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc(-c8ccc9ccccc9c8)cc7-c7ccccc7)c6c54)n3)cc2)cc1
InChIInChI=1S/C61H39N5/c1-4-16-40(17-5-1)42-28-31-45(32-29-42)60-62-59(44-21-8-3-9-22-44)63-61(64-60)66-55-27-15-13-25-50(55)52-36-35-51-49-24-12-14-26-54(49)65(57(51)58(52)66)56-37-34-48(39-53(56)43-19-6-2-7-20-43)47-33-30-41-18-10-11-23-46(41)38-47/h1-39H
InChIKeyXVMZYFPXYCMGAB-UHFFFAOYSA-N
MW842.02 g/mol
LogP15.55
Rot. Bonds7

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

11-(4-naphthalen-2-yl-2-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 168835067) has the molecular formula C61H39N5 and a molecular weight of 842.02 g/mol. Its IUPAC name is 11-(4-naphthalen-2-yl-2-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-(4-naphthalen-2-yl-2-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
PubChem CID168835067
Molecular FormulaC61H39N5
Molecular Weight842.02 g/mol
Exact Mass841.32
IUPAC Name11-(4-naphthalen-2-yl-2-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc(-c8ccc9ccccc9c8)cc7-c7ccccc7)c6c54)n3)cc2)cc1
InChIInChI=1S/C61H39N5/c1-4-16-40(17-5-1)42-28-31-45(32-29-42)60-62-59(44-21-8-3-9-22-44)63-61(64-60)66-55-27-15-13-25-50(55)52-36-35-51-49-24-12-14-26-54(49)65(57(51)58(52)66)56-37-34-48(39-53(56)43-19-6-2-7-20-43)47-33-30-41-18-10-11-23-46(41)38-47/h1-39H
InChIKeyXVMZYFPXYCMGAB-UHFFFAOYSA-N
XLogP15.55
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.02
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-[2-phenyl-4-(4-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167154429
12-[4-(4-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole;12-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole;12-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole
CID 165057639
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165585
12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165397
9-[2-[4-[4-carbazol-9-yl-6-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303352
12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 175627106
9-[2-[4-[4-carbazol-9-yl-6-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303815
12-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 59365869
11-[2-[3-(3-phenylphenyl)phenyl]phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 175616505
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-[3-(3-phenylphenyl)phenyl]phenyl]-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 175616615
11-[2-(3,5-diphenylphenyl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 175627738
2-phenyl-9-[2-phenyl-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170539049

Frequently Asked Questions

What is the IUPAC name of 11-(4-naphthalen-2-yl-2-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The IUPAC name of 11-(4-naphthalen-2-yl-2-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 168835067) is 11-(4-naphthalen-2-yl-2-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11-(4-naphthalen-2-yl-2-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 11-(4-naphthalen-2-yl-2-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc(-c8ccc9ccccc9c8)cc7-c7ccccc7)c6c54)n3)cc2)cc1.
What is the InChIKey of 11-(4-naphthalen-2-yl-2-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The InChIKey is XVMZYFPXYCMGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N5/c1-4-16-40(17-5-1)42-28-31-45(32-29-42)60-62-59(44-21-8-3-9-22-44)63-61(64-60)66-55-27-15-13-25-50(55)52-36-35-51-49-24-12-14-26-54(49)65(57(51)58(52)66)56-37-34-48(39-53(56)43-19-6-2-7-20-43)47-33-30-41-18-10-11-23-46(41)38-47/h1-39H.
What are the key properties of 11-(4-naphthalen-2-yl-2-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
11-(4-naphthalen-2-yl-2-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 842.02 g/mol, XLogP of 15.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-naphthalen-2-yl-2-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 168835067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).