2-[4-[3-[8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]dibenzofuran-3-yl]phenyl]phenyl]-4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine

C81H49N7O2 — CID 137465836

IUPAC2-[4-[3-[8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]dibenzofuran-3-yl]phenyl]phenyl]-4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cncc(-c5ccc6oc7cc(-c8cccc(-c9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccc(-c%12ccc%13c(c%12)oc%12ccc%14ccccc%14c%12%13)cc%11)n%10)cc9)c8)ccc7c6c5)c4)cc3)n2)cc1
InChIInChI=1S/C81H49N7O2/c1-4-14-54(15-5-1)76-83-77(55-16-6-2-7-17-55)85-79(84-76)59-33-27-52(28-34-59)65-44-66(49-82-48-65)62-38-41-71-70(45-62)68-39-35-64(47-73(68)89-71)61-21-12-20-60(43-61)50-23-29-57(30-24-50)80-86-78(56-18-8-3-9-19-56)87-81(88-80)58-31-25-51(26-32-58)63-36-40-69-74(46-63)90-72-42-37-53-13-10-11-22-67(53)75(69)72/h1-49H
InChIKeyVUFYAMJKYFRHOZ-UHFFFAOYSA-N
MW1152.33 g/mol
LogP20.74
Rot. Bonds11

About 2-[4-[3-[8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]dibenzofuran-3-yl]phenyl]phenyl]-4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine

2-[4-[3-[8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]dibenzofuran-3-yl]phenyl]phenyl]-4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 137465836) has the molecular formula C81H49N7O2 and a molecular weight of 1152.33 g/mol. Its IUPAC name is 2-[4-[3-[8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]dibenzofuran-3-yl]phenyl]phenyl]-4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[3-[8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]dibenzofuran-3-yl]phenyl]phenyl]-4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID137465836
Molecular FormulaC81H49N7O2
Molecular Weight1152.33 g/mol
Exact Mass1151.39
IUPAC Name2-[4-[3-[8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]dibenzofuran-3-yl]phenyl]phenyl]-4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cncc(-c5ccc6oc7cc(-c8cccc(-c9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccc(-c%12ccc%13c(c%12)oc%12ccc%14ccccc%14c%12%13)cc%11)n%10)cc9)c8)ccc7c6c5)c4)cc3)n2)cc1
InChIInChI=1S/C81H49N7O2/c1-4-14-54(15-5-1)76-83-77(55-16-6-2-7-17-55)85-79(84-76)59-33-27-52(28-34-59)65-44-66(49-82-48-65)62-38-41-71-70(45-62)68-39-35-64(47-73(68)89-71)61-21-12-20-60(43-61)50-23-29-57(30-24-50)80-86-78(56-18-8-3-9-19-56)87-81(88-80)58-31-25-51(26-32-58)63-36-40-69-74(46-63)90-72-42-37-53-13-10-11-22-67(53)75(69)72/h1-49H
InChIKeyVUFYAMJKYFRHOZ-UHFFFAOYSA-N
XLogP20.74
TPSA116.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001152.33
LogP ≤ 520.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[4-[3-[8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]dibenzofuran-3-yl]phenyl]phenyl]-4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616809
2-(3-dibenzofuran-3-ylphenyl)-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 155773189
2-phenyl-4-(8-phenyldibenzofuran-3-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155773119
2,4-diphenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 171414951
2-phenyl-4-[8-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171597223
2-phenyl-4-(4-phenylphenyl)-6-[3-[7-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 155773210
2-phenyl-4-(7-phenyldibenzofuran-2-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 139549251
2-phenyl-4-[3-(8-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 155773208
2,4-diphenyl-6-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,3,5-triazine
CID 158987075
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269
2-[7-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170364883
2-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]dibenzofuran-3-yl]phenyl]phenyl]-4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[3-[8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]dibenzofuran-3-yl]phenyl]phenyl]-4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine (CID 137465836) is 2-[4-[3-[8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]dibenzofuran-3-yl]phenyl]phenyl]-4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[3-[8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]dibenzofuran-3-yl]phenyl]phenyl]-4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[3-[8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]dibenzofuran-3-yl]phenyl]phenyl]-4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cncc(-c5ccc6oc7cc(-c8cccc(-c9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccc(-c%12ccc%13c(c%12)oc%12ccc%14ccccc%14c%12%13)cc%11)n%10)cc9)c8)ccc7c6c5)c4)cc3)n2)cc1.
What is the InChIKey of 2-[4-[3-[8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]dibenzofuran-3-yl]phenyl]phenyl]-4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is VUFYAMJKYFRHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H49N7O2/c1-4-14-54(15-5-1)76-83-77(55-16-6-2-7-17-55)85-79(84-76)59-33-27-52(28-34-59)65-44-66(49-82-48-65)62-38-41-71-70(45-62)68-39-35-64(47-73(68)89-71)61-21-12-20-60(43-61)50-23-29-57(30-24-50)80-86-78(56-18-8-3-9-19-56)87-81(88-80)58-31-25-51(26-32-58)63-36-40-69-74(46-63)90-72-42-37-53-13-10-11-22-67(53)75(69)72/h1-49H.
What are the key properties of 2-[4-[3-[8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]dibenzofuran-3-yl]phenyl]phenyl]-4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine?
2-[4-[3-[8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]dibenzofuran-3-yl]phenyl]phenyl]-4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 1152.33 g/mol, XLogP of 20.74, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[8-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]dibenzofuran-3-yl]phenyl]phenyl]-4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 137465836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).