4,6-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole

C85H55N7O — CID 139312660

IUPAC4,6-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole
SMILESCn1c2c(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3)cccc2c2c3oc4ccccc4c3cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3)c21
InChIInChI=1S/C85H55N7O/c1-92-77-70(60-37-22-39-62(45-60)82-86-80(58-33-16-6-17-34-58)88-84(90-82)68-49-64(54-25-8-2-9-26-54)47-65(50-68)55-27-10-3-11-28-55)42-24-43-72(77)76-78(92)73(53-74-71-41-20-21-44-75(71)93-79(74)76)61-38-23-40-63(46-61)83-87-81(59-35-18-7-19-36-59)89-85(91-83)69-51-66(56-29-12-4-13-30-56)48-67(52-69)57-31-14-5-15-32-57/h2-53H,1H3
InChIKeyYHCYSOCQNPWESV-UHFFFAOYSA-N
MW1190.42 g/mol
LogP21.60
Rot. Bonds12

About 4,6-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole

4,6-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole (PubChem CID 139312660) has the molecular formula C85H55N7O and a molecular weight of 1190.42 g/mol. Its IUPAC name is 4,6-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name4,6-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole
PubChem CID139312660
Molecular FormulaC85H55N7O
Molecular Weight1190.42 g/mol
Exact Mass1189.45
IUPAC Name4,6-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole
SMILESCn1c2c(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3)cccc2c2c3oc4ccccc4c3cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3)c21
InChIInChI=1S/C85H55N7O/c1-92-77-70(60-37-22-39-62(45-60)82-86-80(58-33-16-6-17-34-58)88-84(90-82)68-49-64(54-25-8-2-9-26-54)47-65(50-68)55-27-10-3-11-28-55)42-24-43-72(77)76-78(92)73(53-74-71-41-20-21-44-75(71)93-79(74)76)61-38-23-40-63(46-61)83-87-81(59-35-18-7-19-36-59)89-85(91-83)69-51-66(56-29-12-4-13-30-56)48-67(52-69)57-31-14-5-15-32-57/h2-53H,1H3
InChIKeyYHCYSOCQNPWESV-UHFFFAOYSA-N
XLogP21.60
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001190.42
LogP ≤ 521.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4,6-bis[4-(3,5-diphenylphenyl)phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole
CID 139312062
2-(3,5-diphenylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853741
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 139441684
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252675
2-phenyl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176853882
2,4-diphenyl-6-[3-phenyl-5-(4-phenyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 146369018
2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 170010934
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-[4-(3,5-diphenylphenyl)phenyl]-4-naphtho[1,2-b][1]benzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 154948000
2-phenyl-4-[7-(2-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170378592
2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 148688171
2,4-diphenyl-6-[7-[4-(3-phenylphenyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170378711

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 4,6-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole (CID 139312660) is 4,6-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 4,6-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 4,6-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole is Cn1c2c(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3)cccc2c2c3oc4ccccc4c3cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3)c21.
What is the InChIKey of 4,6-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole?
The InChIKey is YHCYSOCQNPWESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H55N7O/c1-92-77-70(60-37-22-39-62(45-60)82-86-80(58-33-16-6-17-34-58)88-84(90-82)68-49-64(54-25-8-2-9-26-54)47-65(50-68)55-27-10-3-11-28-55)42-24-43-72(77)76-78(92)73(53-74-71-41-20-21-44-75(71)93-79(74)76)61-38-23-40-63(46-61)83-87-81(59-35-18-7-19-36-59)89-85(91-83)69-51-66(56-29-12-4-13-30-56)48-67(52-69)57-31-14-5-15-32-57/h2-53H,1H3.
What are the key properties of 4,6-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole?
4,6-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1190.42 g/mol, XLogP of 21.60, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-methyl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 139312660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).