4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

C51H30N4O2 — CID 170366972

IUPAC4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5cccc6oc7ccc(-c8cccc9oc%10ccccc%10c89)cc7c56)cccc43)n2)cc1
InChIInChI=1S/C51H30N4O2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)55-40-23-9-7-18-37(40)46-35(21-11-24-41(46)55)36-22-13-27-45-48(36)39-30-33(28-29-43(39)57-45)34-20-12-26-44-47(34)38-19-8-10-25-42(38)56-44/h1-30H
InChIKeySDSPDYKSZGCKSP-UHFFFAOYSA-N
MW730.83 g/mol
LogP13.44
Rot. Bonds5

About 4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 170366972) has the molecular formula C51H30N4O2 and a molecular weight of 730.83 g/mol. Its IUPAC name is 4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID170366972
Molecular FormulaC51H30N4O2
Molecular Weight730.83 g/mol
Exact Mass730.24
IUPAC Name4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5cccc6oc7ccc(-c8cccc9oc%10ccccc%10c89)cc7c56)cccc43)n2)cc1
InChIInChI=1S/C51H30N4O2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)55-40-23-9-7-18-37(40)46-35(21-11-24-41(46)55)36-22-13-27-45-48(36)39-30-33(28-29-43(39)57-45)34-20-12-26-44-47(34)38-19-8-10-25-42(38)56-44/h1-30H
InChIKeySDSPDYKSZGCKSP-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

9-[4-[3-(8-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358426
9-(4,6-diphenylpyrimidin-2-yl)-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 129292130
9-[4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358272
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584
3-(9-phenyldibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309636
4-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176837796
3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 166953160
[3-[4-(4-dibenzofuran-2-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 176837798
9-[4-(7-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358254
9-[4-phenyl-6-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169060933
9-[4-(9-dibenzofuran-4-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358021
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-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 166592067

Frequently Asked Questions

What is the IUPAC name of 4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 170366972) is 4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5cccc6oc7ccc(-c8cccc9oc%10ccccc%10c89)cc7c56)cccc43)n2)cc1.
What is the InChIKey of 4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is SDSPDYKSZGCKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)55-40-23-9-7-18-37(40)46-35(21-11-24-41(46)55)36-22-13-27-45-48(36)39-30-33(28-29-43(39)57-45)34-20-12-26-44-47(34)38-19-8-10-25-42(38)56-44/h1-30H.
What are the key properties of 4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole 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-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 170366972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).