12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;ethane;sulfane

C51H39N7S — CID 143865156

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;ethane;sulfane
SMILESCC.S.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccccn5)cc4c4ccc5c6cc(-c7ccccn7)ccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C49H31N7.C2H6.H2S/c1-4-14-32(15-5-1)47-52-48(33-16-6-2-7-17-33)54-49(53-47)56-44-27-23-35(42-21-11-13-29-51-42)31-40(44)38-25-24-37-39-30-34(41-20-10-12-28-50-41)22-26-43(39)55(45(37)46(38)56)36-18-8-3-9-19-36;1-2;/h1-31H;1-2H3;1H2
InChIKeyZFFNLOMWIOVAKL-UHFFFAOYSA-N
MW781.99 g/mol
LogP12.66
Rot. Bonds6

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;ethane;sulfane

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;ethane;sulfane (PubChem CID 143865156) has the molecular formula C51H39N7S and a molecular weight of 781.99 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;ethane;sulfane.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;ethane;sulfane
PubChem CID143865156
Molecular FormulaC51H39N7S
Molecular Weight781.99 g/mol
Exact Mass781.30
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;ethane;sulfane
SMILESCC.S.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccccn5)cc4c4ccc5c6cc(-c7ccccn7)ccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C49H31N7.C2H6.H2S/c1-4-14-32(15-5-1)47-52-48(33-16-6-2-7-17-33)54-49(53-47)56-44-27-23-35(42-21-11-13-29-51-42)31-40(44)38-25-24-37-39-30-34(41-20-10-12-28-50-41)22-26-43(39)55(45(37)46(38)56)36-18-8-3-9-19-36;1-2;/h1-31H;1-2H3;1H2
InChIKeyZFFNLOMWIOVAKL-UHFFFAOYSA-N
XLogP12.66
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.99
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3-(3-phenylphenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3-(4-phenylphenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 160982500
3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164799955
12-[4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole
CID 162079311
2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole
CID 118300823
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098
3,8,11-triphenyl-12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 134507218
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
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-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-15,15-dimethyl-23-phenyl-7-pyridin-2-yl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20-decaene
CID 90270316
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,17,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 122523979
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-11-phenylindolo[2,3-a]carbazole
CID 168729522
9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole
CID 67952723

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;ethane;sulfane?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;ethane;sulfane (CID 143865156) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;ethane;sulfane.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;ethane;sulfane?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;ethane;sulfane is CC.S.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccccn5)cc4c4ccc5c6cc(-c7ccccn7)ccc6n(-c6ccccc6)c5c43)n2)cc1.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;ethane;sulfane?
The InChIKey is ZFFNLOMWIOVAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N7.C2H6.H2S/c1-4-14-32(15-5-1)47-52-48(33-16-6-2-7-17-33)54-49(53-47)56-44-27-23-35(42-21-11-13-29-51-42)31-40(44)38-25-24-37-39-30-34(41-20-10-12-28-50-41)22-26-43(39)55(45(37)46(38)56)36-18-8-3-9-19-36;1-2;/h1-31H;1-2H3;1H2.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;ethane;sulfane?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;ethane;sulfane has a molecular weight of 781.99 g/mol, XLogP of 12.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;ethane;sulfane is sourced from PubChem (CID 143865156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).