4-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-diphenylaniline

C51H33N5O — CID 166974958

IUPAC4-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c3oc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C51H33N5O/c1-4-16-35(17-5-1)49-52-50(54-51(53-49)56-44-25-13-10-22-40(44)41-23-11-14-26-45(41)56)43-33-32-39(47-42-24-12-15-27-46(42)57-48(43)47)34-28-30-38(31-29-34)55(36-18-6-2-7-19-36)37-20-8-3-9-21-37/h1-33H
InChIKeyRQILTXTXGRBLRD-UHFFFAOYSA-N
MW731.86 g/mol
LogP13.34
Rot. Bonds7

About 4-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-diphenylaniline

4-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-diphenylaniline (PubChem CID 166974958) has the molecular formula C51H33N5O and a molecular weight of 731.86 g/mol. Its IUPAC name is 4-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-diphenylaniline
PubChem CID166974958
Molecular FormulaC51H33N5O
Molecular Weight731.86 g/mol
Exact Mass731.27
IUPAC Name4-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c3oc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C51H33N5O/c1-4-16-35(17-5-1)49-52-50(54-51(53-49)56-44-25-13-10-22-40(44)41-23-11-14-26-45(41)56)43-33-32-39(47-42-24-12-15-27-46(42)57-48(43)47)34-28-30-38(31-29-34)55(36-18-6-2-7-19-36)37-20-8-3-9-21-37/h1-33H
InChIKeyRQILTXTXGRBLRD-UHFFFAOYSA-N
XLogP13.34
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.86
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]-N,4-diphenylaniline
CID 166974972
6-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 171730151
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756196
9-[4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazin-2-yl]carbazole
CID 176854040
9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572704
9-[4-(9-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155357986
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584
9-[4-(9-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358093
9-[4-[4-(7-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358295
2,4-diphenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142491264
9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 167032741

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-diphenylaniline (CID 166974958) is 4-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-diphenylaniline is c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c3oc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 4-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-diphenylaniline?
The InChIKey is RQILTXTXGRBLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5O/c1-4-16-35(17-5-1)49-52-50(54-51(53-49)56-44-25-13-10-22-40(44)41-23-11-14-26-45(41)56)43-33-32-39(47-42-24-12-15-27-46(42)57-48(43)47)34-28-30-38(31-29-34)55(36-18-6-2-7-19-36)37-20-8-3-9-21-37/h1-33H.
What are the key properties of 4-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-diphenylaniline?
4-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-diphenylaniline has a molecular weight of 731.86 g/mol, XLogP of 13.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-diphenylaniline is sourced from PubChem (CID 166974958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).