12-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole

C51H32N4O2 — CID 167200849

IUPAC12-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole
SMILESC1=Cc2oc3cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)ccc3c2C(c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)C1
InChIInChI=1S/C51H32N4O2/c1-3-13-31(14-4-1)33-17-11-18-34(29-33)50-52-49(32-15-5-2-6-16-32)53-51(54-50)41-21-12-24-44-46(41)40-26-25-35(30-45(40)56-44)55-42-22-9-7-19-36(42)38-27-28-39-37-20-8-10-23-43(37)57-48(39)47(38)55/h1-20,22-30,41H,21H2
InChIKeyKMJVBDIBLSJSRO-UHFFFAOYSA-N
MW732.84 g/mol
LogP13.16
Rot. Bonds5

About 12-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole

12-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 167200849) has the molecular formula C51H32N4O2 and a molecular weight of 732.84 g/mol. Its IUPAC name is 12-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole
PubChem CID167200849
Molecular FormulaC51H32N4O2
Molecular Weight732.84 g/mol
Exact Mass732.25
IUPAC Name12-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole
SMILESC1=Cc2oc3cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)ccc3c2C(c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)C1
InChIInChI=1S/C51H32N4O2/c1-3-13-31(14-4-1)33-17-11-18-34(29-33)50-52-49(32-15-5-2-6-16-32)53-51(54-50)41-21-12-24-44-46(41)40-26-25-35(30-45(40)56-44)55-42-22-9-7-19-36(42)38-27-28-39-37-20-8-10-23-43(37)57-48(39)47(38)55/h1-20,22-30,41H,21H2
InChIKeyKMJVBDIBLSJSRO-UHFFFAOYSA-N
XLogP13.16
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.84
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126580353
12-[3-(4-phenylphenyl)phenyl]-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163675437
8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163611677
12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 166953087
9-[4-dibenzofuran-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163603085
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole
CID 126580447
12-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(3-phenylphenyl)-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701826
12-[4-phenyl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163732544
12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole
CID 170277606
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(9-phenyl-1,2-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 170145405
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163579261
12-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(3-phenylphenyl)-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701765

Frequently Asked Questions

What is the IUPAC name of 12-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole (CID 167200849) is 12-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole is C1=Cc2oc3cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)ccc3c2C(c2nc(-c3ccccc3)nc(-c3cccc(-c4ccccc4)c3)n2)C1.
What is the InChIKey of 12-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is KMJVBDIBLSJSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O2/c1-3-13-31(14-4-1)33-17-11-18-34(29-33)50-52-49(32-15-5-2-6-16-32)53-51(54-50)41-21-12-24-44-46(41)40-26-25-35(30-45(40)56-44)55-42-22-9-7-19-36(42)38-27-28-39-37-20-8-10-23-43(37)57-48(39)47(38)55/h1-20,22-30,41H,21H2.
What are the key properties of 12-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole?
12-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 732.84 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-8,9-dihydrodibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 167200849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).