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

C51H33N5O — CID 166961291

IUPAC9-[6-(2-carbazol-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]-4-phenylcarbazole
SMILESc1ccc(C2=NC(c3cccc4c3oc3cccc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)c34)=NC(n3c4ccccc4c4ccccc43)N2)cc1
InChIInChI=1S/C51H33N5O/c1-3-16-32(17-4-1)34-23-14-29-43-46(34)37-22-9-12-28-42(37)55(43)44-30-15-31-45-47(44)38-24-13-25-39(48(38)57-45)50-52-49(33-18-5-2-6-19-33)53-51(54-50)56-40-26-10-7-20-35(40)36-21-8-11-27-41(36)56/h1-31,51H,(H,52,53,54)
InChIKeyDQUJCCJZTHAMKT-UHFFFAOYSA-N
MW731.86 g/mol
LogP12.41
Rot. Bonds5

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

9-[6-(2-carbazol-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]-4-phenylcarbazole (PubChem CID 166961291) has the molecular formula C51H33N5O and a molecular weight of 731.86 g/mol. Its IUPAC name is 9-[6-(2-carbazol-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]-4-phenylcarbazole.

Molecular Properties

Compound Name9-[6-(2-carbazol-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]-4-phenylcarbazole
PubChem CID166961291
Molecular FormulaC51H33N5O
Molecular Weight731.86 g/mol
Exact Mass731.27
IUPAC Name9-[6-(2-carbazol-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]-4-phenylcarbazole
SMILESc1ccc(C2=NC(c3cccc4c3oc3cccc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)c34)=NC(n3c4ccccc4c4ccccc43)N2)cc1
InChIInChI=1S/C51H33N5O/c1-3-16-32(17-4-1)34-23-14-29-43-46(34)37-22-9-12-28-42(37)55(43)44-30-15-31-45-47(44)38-24-13-25-39(48(38)57-45)50-52-49(33-18-5-2-6-19-33)53-51(54-50)56-40-26-10-7-20-35(40)36-21-8-11-27-41(36)56/h1-31,51H,(H,52,53,54)
InChIKeyDQUJCCJZTHAMKT-UHFFFAOYSA-N
XLogP12.41
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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

9-[9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole
CID 163754260
9-[4-(7-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]carbazole
CID 166961045
9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole
CID 166961563
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797
9-[16-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaen-8-yl]carbazole
CID 146664755
4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 174250140
9-[9-(2-carbazol-9-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-2-phenylcarbazole
CID 174245169
9-[6-[9-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzothiophen-4-yl]dibenzofuran-1-yl]carbazole
CID 166962038
9-[6-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 168770543
9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole
CID 176773398
9-(9-dibenzofuran-4-yl-6-phenyldibenzofuran-4-yl)carbazole
CID 147826287
5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 167200347

Frequently Asked Questions

What is the IUPAC name of 9-[6-(2-carbazol-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]-4-phenylcarbazole?
The IUPAC name of 9-[6-(2-carbazol-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]-4-phenylcarbazole (CID 166961291) is 9-[6-(2-carbazol-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]-4-phenylcarbazole.
What is the SMILES notation for 9-[6-(2-carbazol-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]-4-phenylcarbazole?
The canonical SMILES for 9-[6-(2-carbazol-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]-4-phenylcarbazole is c1ccc(C2=NC(c3cccc4c3oc3cccc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)c34)=NC(n3c4ccccc4c4ccccc43)N2)cc1.
What is the InChIKey of 9-[6-(2-carbazol-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]-4-phenylcarbazole?
The InChIKey is DQUJCCJZTHAMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5O/c1-3-16-32(17-4-1)34-23-14-29-43-46(34)37-22-9-12-28-42(37)55(43)44-30-15-31-45-47(44)38-24-13-25-39(48(38)57-45)50-52-49(33-18-5-2-6-19-33)53-51(54-50)56-40-26-10-7-20-35(40)36-21-8-11-27-41(36)56/h1-31,51H,(H,52,53,54).
What are the key properties of 9-[6-(2-carbazol-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]-4-phenylcarbazole?
9-[6-(2-carbazol-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]-4-phenylcarbazole has a molecular weight of 731.86 g/mol, XLogP of 12.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(2-carbazol-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]-4-phenylcarbazole is sourced from PubChem (CID 166961291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).