5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole

C51H31N5O — CID 135166141

IUPAC5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)oc6ccccc67)n5)c43)c2)cc1
InChIInChI=1S/C51H31N5O/c1-3-14-32(15-4-1)34-18-13-19-36(30-34)55-42-23-10-7-20-37(42)40-28-29-44-47(48(40)55)41-22-8-11-24-43(41)56(44)51-53-49(33-16-5-2-6-17-33)52-50(54-51)35-26-27-39-38-21-9-12-25-45(38)57-46(39)31-35/h1-31H
InChIKeyVADNFTUWUHXFPR-UHFFFAOYSA-N
MW729.84 g/mol
LogP12.97
Rot. Bonds5

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

5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 135166141) has the molecular formula C51H31N5O and a molecular weight of 729.84 g/mol. Its IUPAC name is 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
PubChem CID135166141
Molecular FormulaC51H31N5O
Molecular Weight729.84 g/mol
Exact Mass729.25
IUPAC Name5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)oc6ccccc67)n5)c43)c2)cc1
InChIInChI=1S/C51H31N5O/c1-3-14-32(15-4-1)34-18-13-19-36(30-34)55-42-23-10-7-20-37(42)40-28-29-44-47(48(40)55)41-22-8-11-24-43(41)56(44)51-53-49(33-16-5-2-6-17-33)52-50(54-51)35-26-27-39-38-21-9-12-25-45(38)57-46(39)31-35/h1-31H
InChIKeyVADNFTUWUHXFPR-UHFFFAOYSA-N
XLogP12.97
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.84
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-phenyl-5-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 166511987
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 162005226
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169015007
12-(3-phenylphenyl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 134507233
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-14-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165927
5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
CID 169036896
4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965374
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
CID 170289089
12-phenyl-5-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 164799948
10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
CID 135166022
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268443
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 161319412

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole (CID 135166141) is 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)oc6ccccc67)n5)c43)c2)cc1.
What is the InChIKey of 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The InChIKey is VADNFTUWUHXFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5O/c1-3-14-32(15-4-1)34-18-13-19-36(30-34)55-42-23-10-7-20-37(42)40-28-29-44-47(48(40)55)41-22-8-11-24-43(41)56(44)51-53-49(33-16-5-2-6-17-33)52-50(54-51)35-26-27-39-38-21-9-12-25-45(38)57-46(39)31-35/h1-31H.
What are the key properties of 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole has a molecular weight of 729.84 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 135166141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).