11-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole

C48H32N6 — CID 137067046

IUPAC11-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(C2=NC(c3ccc4ccccc4c3)NC(c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)nc3)=N2)cc1
InChIInChI=1S/C48H32N6/c1-3-14-32(15-4-1)46-50-47(34-24-23-31-13-7-8-16-33(31)27-34)52-48(51-46)35-25-26-45(49-30-35)54-42-22-12-10-20-38(42)40-28-43-39(29-44(40)54)37-19-9-11-21-41(37)53(43)36-17-5-2-6-18-36/h1-30,47H,(H,50,51,52)
InChIKeyXAPCPVZKGPLGBU-UHFFFAOYSA-N
MW692.83 g/mol
LogP10.92
Rot. Bonds5

About 11-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole

11-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole (PubChem CID 137067046) has the molecular formula C48H32N6 and a molecular weight of 692.83 g/mol. Its IUPAC name is 11-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole
PubChem CID137067046
Molecular FormulaC48H32N6
Molecular Weight692.83 g/mol
Exact Mass692.27
IUPAC Name11-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(C2=NC(c3ccc4ccccc4c3)NC(c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)nc3)=N2)cc1
InChIInChI=1S/C48H32N6/c1-3-14-32(15-4-1)46-50-47(34-24-23-31-13-7-8-16-33(31)27-34)52-48(51-46)35-25-26-45(49-30-35)54-42-22-12-10-20-38(42)40-28-43-39(29-44(40)54)37-19-9-11-21-41(37)53(43)36-17-5-2-6-18-36/h1-30,47H,(H,50,51,52)
InChIKeyXAPCPVZKGPLGBU-UHFFFAOYSA-N
XLogP10.92
TPSA59.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.83
LogP ≤ 510.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

11-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-naphthalen-2-ylindolo[3,2-b]carbazole
CID 145190373
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
5-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole
CID 144943204
22-(2-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene
CID 137146113
5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole
CID 146395931
9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-naphthalen-2-yl-6-(3-phenanthren-9-ylphenyl)carbazole
CID 137213155
25-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 145268764
12-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 167032341
5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 166699900
2-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)triphenylen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 163568782
7-[4-[6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 166961463
9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-[3-(3-triphenylen-2-ylphenyl)phenyl]carbazole
CID 137208682

Frequently Asked Questions

What is the IUPAC name of 11-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 11-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole (CID 137067046) is 11-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 11-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole is c1ccc(C2=NC(c3ccc4ccccc4c3)NC(c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)nc3)=N2)cc1.
What is the InChIKey of 11-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole?
The InChIKey is XAPCPVZKGPLGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N6/c1-3-14-32(15-4-1)46-50-47(34-24-23-31-13-7-8-16-33(31)27-34)52-48(51-46)35-25-26-45(49-30-35)54-42-22-12-10-20-38(42)40-28-43-39(29-44(40)54)37-19-9-11-21-41(37)53(43)36-17-5-2-6-18-36/h1-30,47H,(H,50,51,52).
What are the key properties of 11-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole?
11-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole has a molecular weight of 692.83 g/mol, XLogP of 10.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 137067046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).