7-carbazol-9-yl-1-[2-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine

C48H31N5O — CID 172508108

IUPAC7-carbazol-9-yl-1-[2-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(C2=NC(c3ccc(-c4cccc5ccccc45)cc3)NC(c3nccc4oc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)=N2)cc1
InChIInChI=1S/C48H31N5O/c1-2-12-32(13-3-1)46-50-47(33-23-21-31(22-24-33)36-18-10-14-30-11-4-5-15-35(30)36)52-48(51-46)45-44-39-26-25-34(29-43(39)54-42(44)27-28-49-45)53-40-19-8-6-16-37(40)38-17-7-9-20-41(38)53/h1-29,47H,(H,50,51,52)
InChIKeyPLUKGBBOJXJGTB-UHFFFAOYSA-N
MW693.81 g/mol
LogP11.39
Rot. Bonds5

About 7-carbazol-9-yl-1-[2-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine

7-carbazol-9-yl-1-[2-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine (PubChem CID 172508108) has the molecular formula C48H31N5O and a molecular weight of 693.81 g/mol. Its IUPAC name is 7-carbazol-9-yl-1-[2-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name7-carbazol-9-yl-1-[2-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine
PubChem CID172508108
Molecular FormulaC48H31N5O
Molecular Weight693.81 g/mol
Exact Mass693.25
IUPAC Name7-carbazol-9-yl-1-[2-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(C2=NC(c3ccc(-c4cccc5ccccc45)cc3)NC(c3nccc4oc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)=N2)cc1
InChIInChI=1S/C48H31N5O/c1-2-12-32(13-3-1)46-50-47(33-23-21-31(22-24-33)36-18-10-14-30-11-4-5-15-35(30)36)52-48(51-46)45-44-39-26-25-34(29-43(39)54-42(44)27-28-49-45)53-40-19-8-6-16-37(40)38-17-7-9-20-41(38)53/h1-29,47H,(H,50,51,52)
InChIKeyPLUKGBBOJXJGTB-UHFFFAOYSA-N
XLogP11.39
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.81
LogP ≤ 511.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-carbazol-9-yl-1-[2-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine with MolForge

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Related Compounds

9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 167200274
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611
12-[6-(4-naphthalen-1-ylphenyl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 163708813
9-[17-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]-2-phenylcarbazole
CID 146665085
9-[16-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-11-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-6-yl]carbazole
CID 146664722
7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214902
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole
CID 166962153
3-[9-[9-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137218561
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961445
9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]dibenzofuran-2-yl]carbazole
CID 166962098
5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167042967
9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole
CID 163680137

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-1-[2-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 7-carbazol-9-yl-1-[2-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine (CID 172508108) is 7-carbazol-9-yl-1-[2-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 7-carbazol-9-yl-1-[2-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 7-carbazol-9-yl-1-[2-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine is c1ccc(C2=NC(c3ccc(-c4cccc5ccccc45)cc3)NC(c3nccc4oc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)=N2)cc1.
What is the InChIKey of 7-carbazol-9-yl-1-[2-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine?
The InChIKey is PLUKGBBOJXJGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N5O/c1-2-12-32(13-3-1)46-50-47(33-23-21-31(22-24-33)36-18-10-14-30-11-4-5-15-35(30)36)52-48(51-46)45-44-39-26-25-34(29-43(39)54-42(44)27-28-49-45)53-40-19-8-6-16-37(40)38-17-7-9-20-41(38)53/h1-29,47H,(H,50,51,52).
What are the key properties of 7-carbazol-9-yl-1-[2-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine?
7-carbazol-9-yl-1-[2-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine has a molecular weight of 693.81 g/mol, XLogP of 11.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbazol-9-yl-1-[2-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 172508108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).