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

C50H32N6 — CID 169037362

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)n2)cc1
InChIInChI=1S/C50H32N6/c1-4-17-33(18-5-1)41-26-16-27-42(51-41)40-25-12-15-30-45(40)55-43-28-13-10-23-36(43)38-31-32-39-37-24-11-14-29-44(37)56(47(39)46(38)55)50-53-48(34-19-6-2-7-20-34)52-49(54-50)35-21-8-3-9-22-35/h1-32H
InChIKeyXNKHAIUGUBLNDY-UHFFFAOYSA-N
MW716.85 g/mol
LogP12.13
Rot. Bonds6

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

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole (PubChem CID 169037362) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
PubChem CID169037362
Molecular FormulaC50H32N6
Molecular Weight716.85 g/mol
Exact Mass716.27
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)n2)cc1
InChIInChI=1S/C50H32N6/c1-4-17-33(18-5-1)41-26-16-27-42(51-41)40-25-12-15-30-45(40)55-43-28-13-10-23-36(43)38-31-32-39-37-24-11-14-29-44(37)56(47(39)46(38)55)50-53-48(34-19-6-2-7-20-34)52-49(54-50)35-21-8-3-9-22-35/h1-32H
InChIKeyXNKHAIUGUBLNDY-UHFFFAOYSA-N
XLogP12.13
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.85
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 169036842
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
11-[2-(3,5-diphenylphenyl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 175627738
11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole
CID 169037058
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-naphthalen-1-ylindolo[2,3-a]carbazole
CID 138623523
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazole
CID 169037304
12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 175627106
12-[4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2-phenylphenyl)indolo[2,3-a]carbazole
CID 167203592
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
9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-[2-(6-phenyl-2-pyridinyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169037372
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
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169036930

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole (CID 169037362) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole is c1ccc(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)n2)cc1.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole?
The InChIKey is XNKHAIUGUBLNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-4-17-33(18-5-1)41-26-16-27-42(51-41)40-25-12-15-30-45(40)55-43-28-13-10-23-36(43)38-31-32-39-37-24-11-14-29-44(37)56(47(39)46(38)55)50-53-48(34-19-6-2-7-20-34)52-49(54-50)35-21-8-3-9-22-35/h1-32H.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole has a molecular weight of 716.85 g/mol, XLogP of 12.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 169037362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).