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

C51H33N5O — CID 167203714

IUPAC12-(2-dibenzofuran-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c43)=NC(c3ccc4c(c3)oc3ccccc34)N2)cc1
InChIInChI=1S/C51H33N5O/c1-3-14-32(15-4-1)34-18-13-19-36(30-34)55-43-23-10-7-20-37(43)41-28-29-42-38-21-8-11-24-44(38)56(48(42)47(41)55)51-53-49(33-16-5-2-6-17-33)52-50(54-51)35-26-27-40-39-22-9-12-25-45(39)57-46(40)31-35/h1-31,50H,(H,52,53,54)
InChIKeyWXGGRVYICUDPKN-UHFFFAOYSA-N
MW731.86 g/mol
LogP12.41
Rot. Bonds4

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

12-(2-dibenzofuran-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole (PubChem CID 167203714) has the molecular formula C51H33N5O and a molecular weight of 731.86 g/mol. Its IUPAC name is 12-(2-dibenzofuran-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(2-dibenzofuran-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole
PubChem CID167203714
Molecular FormulaC51H33N5O
Molecular Weight731.86 g/mol
Exact Mass731.27
IUPAC Name12-(2-dibenzofuran-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c43)=NC(c3ccc4c(c3)oc3ccccc34)N2)cc1
InChIInChI=1S/C51H33N5O/c1-3-14-32(15-4-1)34-18-13-19-36(30-34)55-43-23-10-7-20-37(43)41-28-29-42-38-21-8-11-24-44(38)56(48(42)47(41)55)51-53-49(33-16-5-2-6-17-33)52-50(54-51)35-26-27-40-39-22-9-12-25-45(39)57-46(40)31-35/h1-31,50H,(H,52,53,54)
InChIKeyWXGGRVYICUDPKN-UHFFFAOYSA-N
XLogP12.41
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.86
LogP ≤ 512.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-dibenzofuran-3-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 164975374
12-[3-(4-phenylphenyl)phenyl]-1-[6-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[3,2-a]carbazole
CID 164989882
11-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 162498267
11-[3-[2-phenyl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 144956755
7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole
CID 146337552
12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole
CID 162363400
12-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 166668224
15-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-18-phenyl-5-oxa-15,18-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 126677996
3-[8-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 155077354
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961445
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
9-[3-[6-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-2-[4-(3-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 136598017

Frequently Asked Questions

What is the IUPAC name of 12-(2-dibenzofuran-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole?
The IUPAC name of 12-(2-dibenzofuran-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole (CID 167203714) is 12-(2-dibenzofuran-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-(2-dibenzofuran-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-(2-dibenzofuran-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole is c1ccc(C2=NC(n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c43)=NC(c3ccc4c(c3)oc3ccccc34)N2)cc1.
What is the InChIKey of 12-(2-dibenzofuran-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole?
The InChIKey is WXGGRVYICUDPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5O/c1-3-14-32(15-4-1)34-18-13-19-36(30-34)55-43-23-10-7-20-37(43)41-28-29-42-38-21-8-11-24-44(38)56(48(42)47(41)55)51-53-49(33-16-5-2-6-17-33)52-50(54-51)35-26-27-40-39-22-9-12-25-45(39)57-46(40)31-35/h1-31,50H,(H,52,53,54).
What are the key properties of 12-(2-dibenzofuran-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole?
12-(2-dibenzofuran-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole has a molecular weight of 731.86 g/mol, XLogP of 12.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2-dibenzofuran-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-11-(3-phenylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 167203714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).