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

C51H30N4O2 — CID 146572654

IUPAC4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc(-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-c6ccc7c(c6)oc6ccccc67)n5)c4)cccc32)cc1
InChIInChI=1S/C51H30N4O2/c1-2-14-35(15-3-1)55-42-20-7-4-18-41(42)48-36(19-11-21-43(48)55)31-12-10-13-32(28-31)49-52-50(33-24-26-39-37-16-5-8-22-44(37)56-46(39)29-33)54-51(53-49)34-25-27-40-38-17-6-9-23-45(38)57-47(40)30-34/h1-30H
InChIKeyZGSIYQHDSHPPPG-UHFFFAOYSA-N
MW730.83 g/mol
LogP13.44
Rot. Bonds5

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

4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole (PubChem CID 146572654) has the molecular formula C51H30N4O2 and a molecular weight of 730.83 g/mol. Its IUPAC name is 4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
PubChem CID146572654
Molecular FormulaC51H30N4O2
Molecular Weight730.83 g/mol
Exact Mass730.24
IUPAC Name4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc(-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-c6ccc7c(c6)oc6ccccc67)n5)c4)cccc32)cc1
InChIInChI=1S/C51H30N4O2/c1-2-14-35(15-3-1)55-42-20-7-4-18-41(42)48-36(19-11-21-43(48)55)31-12-10-13-32(28-31)49-52-50(33-24-26-39-37-16-5-8-22-44(37)56-46(39)29-33)54-51(53-49)34-25-27-40-38-17-6-9-23-45(38)57-47(40)30-34/h1-30H
InChIKeyZGSIYQHDSHPPPG-UHFFFAOYSA-N
XLogP13.44
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.83
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 154602275
4-[2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole
CID 170193088
4-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176837796
boranuide;4-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 159052403
4-[9-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768741
9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole
CID 165093740
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169015013
9-[2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174273466
4-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-9-phenylcarbazole
CID 170192736
9-(2-dibenzofuran-3-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438000
9-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169014536
4-dibenzofuran-3-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122599853

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole (CID 146572654) is 4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3c(-c4cccc(-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-c6ccc7c(c6)oc6ccccc67)n5)c4)cccc32)cc1.
What is the InChIKey of 4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole?
The InChIKey is ZGSIYQHDSHPPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O2/c1-2-14-35(15-3-1)55-42-20-7-4-18-41(42)48-36(19-11-21-43(48)55)31-12-10-13-32(28-31)49-52-50(33-24-26-39-37-16-5-8-22-44(37)56-46(39)29-33)54-51(53-49)34-25-27-40-38-17-6-9-23-45(38)57-47(40)30-34/h1-30H.
What are the key properties of 4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole?
4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole has a molecular weight of 730.83 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 146572654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).