4-[8-(4-dibenzofuran-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-9-phenylcarbazole

C51H32N4OS — CID 163646218

IUPAC4-[8-(4-dibenzofuran-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
SMILESc1ccc(C2N=C(c3ccc4oc5ccccc5c4c3)N=C(c3ccc4sc5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc5c4c3)N2)cc1
InChIInChI=1S/C51H32N4OS/c1-3-13-31(14-4-1)49-52-50(32-25-27-45-40(29-32)35-17-8-10-24-44(35)56-45)54-51(53-49)33-26-28-46-41(30-33)38-21-11-20-37(48(38)57-46)36-19-12-23-43-47(36)39-18-7-9-22-42(39)55(43)34-15-5-2-6-16-34/h1-30,49H,(H,52,53,54)
InChIKeyIIKWLMLRRFFTPR-UHFFFAOYSA-N
MW748.91 g/mol
LogP13.21
Rot. Bonds5

About 4-[8-(4-dibenzofuran-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-9-phenylcarbazole

4-[8-(4-dibenzofuran-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-9-phenylcarbazole (PubChem CID 163646218) has the molecular formula C51H32N4OS and a molecular weight of 748.91 g/mol. Its IUPAC name is 4-[8-(4-dibenzofuran-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[8-(4-dibenzofuran-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
PubChem CID163646218
Molecular FormulaC51H32N4OS
Molecular Weight748.91 g/mol
Exact Mass748.23
IUPAC Name4-[8-(4-dibenzofuran-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
SMILESc1ccc(C2N=C(c3ccc4oc5ccccc5c4c3)N=C(c3ccc4sc5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc5c4c3)N2)cc1
InChIInChI=1S/C51H32N4OS/c1-3-13-31(14-4-1)49-52-50(32-25-27-45-40(29-32)35-17-8-10-24-44(35)56-45)54-51(53-49)33-26-28-46-41(30-33)38-21-11-20-37(48(38)57-46)36-19-12-23-43-47(36)39-18-7-9-22-42(39)55(43)34-15-5-2-6-16-34/h1-30,49H,(H,52,53,54)
InChIKeyIIKWLMLRRFFTPR-UHFFFAOYSA-N
XLogP13.21
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.91
LogP ≤ 513.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole
CID 89496075
4-[3-[5-(2-dibenzofuran-4-ylethyl)-7-methyl-8-[(Z)-prop-1-enyl]naphthalen-1-yl]-5-dibenzothiophen-4-ylphenyl]-9-phenylcarbazole
CID 129225547
4-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)-5-dibenzothiophen-4-ylphenyl]-9-[(2E,4E)-5-phenylhexa-2,4-dien-3-yl]carbazole
CID 129225641
9-[4-[4-[(Z)-2-dibenzofuran-4-yl-1-dibenzothiophen-3-ylethenyl]-2-pyridin-4-ylphenyl]phenyl]carbazole
CID 134224720
3-(4-Dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163643734
3-[4-Dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163643738
3-[4-Dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163643739
2-Dibenzofuran-4-yl-12-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 163644785
9-[9-[6-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole
CID 163645111
2-(4-Dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163645909
2-[4-Dibenzothiophen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163645913
2-[4-Dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163645914

Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-dibenzofuran-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-9-phenylcarbazole?
The IUPAC name of 4-[8-(4-dibenzofuran-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-9-phenylcarbazole (CID 163646218) is 4-[8-(4-dibenzofuran-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[8-(4-dibenzofuran-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[8-(4-dibenzofuran-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-9-phenylcarbazole is c1ccc(C2N=C(c3ccc4oc5ccccc5c4c3)N=C(c3ccc4sc5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc5c4c3)N2)cc1.
What is the InChIKey of 4-[8-(4-dibenzofuran-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-9-phenylcarbazole?
The InChIKey is IIKWLMLRRFFTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4OS/c1-3-13-31(14-4-1)49-52-50(32-25-27-45-40(29-32)35-17-8-10-24-44(35)56-45)54-51(53-49)33-26-28-46-41(30-33)38-21-11-20-37(48(38)57-46)36-19-12-23-43-47(36)39-18-7-9-22-42(39)55(43)34-15-5-2-6-16-34/h1-30,49H,(H,52,53,54).
What are the key properties of 4-[8-(4-dibenzofuran-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-9-phenylcarbazole?
4-[8-(4-dibenzofuran-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-9-phenylcarbazole has a molecular weight of 748.91 g/mol, XLogP of 13.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-dibenzofuran-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 163646218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).