12-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

C69H43N5O — CID 171402489

IUPAC12-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc(-c5c6c(cc7c5c5ccccc5n7-c5ccccc5)oc5ccccc56)c4)cc3)n2)cc1
InChIInChI=1S/C69H43N5O/c1-5-19-45(20-6-1)67-70-68(46-21-7-2-8-22-46)72-69(71-67)47-35-33-44(34-36-47)49-39-50(48-37-38-55-54-27-13-16-30-58(54)73(60(55)42-48)52-23-9-3-10-24-52)41-51(40-49)64-65-56-28-14-17-31-59(56)74(53-25-11-4-12-26-53)61(65)43-63-66(64)57-29-15-18-32-62(57)75-63/h1-43H
InChIKeyXOWDUSSQGPNGRS-UHFFFAOYSA-N
MW958.14 g/mol
LogP17.97
Rot. Bonds8

About 12-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

12-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (PubChem CID 171402489) has the molecular formula C69H43N5O and a molecular weight of 958.14 g/mol. Its IUPAC name is 12-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name12-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
PubChem CID171402489
Molecular FormulaC69H43N5O
Molecular Weight958.14 g/mol
Exact Mass957.35
IUPAC Name12-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc(-c5c6c(cc7c5c5ccccc5n7-c5ccccc5)oc5ccccc56)c4)cc3)n2)cc1
InChIInChI=1S/C69H43N5O/c1-5-19-45(20-6-1)67-70-68(46-21-7-2-8-22-46)72-69(71-67)47-35-33-44(34-36-47)49-39-50(48-37-38-55-54-27-13-16-30-58(54)73(60(55)42-48)52-23-9-3-10-24-52)41-51(40-49)64-65-56-28-14-17-31-59(56)74(53-25-11-4-12-26-53)61(65)43-63-66(64)57-29-15-18-32-62(57)75-63/h1-43H
InChIKeyXOWDUSSQGPNGRS-UHFFFAOYSA-N
XLogP17.97
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500958.14
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole with MolForge

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Related Compounds

2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 118507595
2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171445377
2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342798
2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342775
9-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole
CID 135143755
2-dibenzofuran-1-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 161252356
2-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 166009472
4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline
CID 170376628
9-[4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole
CID 174245138
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171437863
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 171438053
5-[1-[4-(9-phenylcarbazol-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714619

Frequently Asked Questions

What is the IUPAC name of 12-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 12-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (CID 171402489) is 12-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 12-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 12-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc(-c5c6c(cc7c5c5ccccc5n7-c5ccccc5)oc5ccccc56)c4)cc3)n2)cc1.
What is the InChIKey of 12-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The InChIKey is XOWDUSSQGPNGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N5O/c1-5-19-45(20-6-1)67-70-68(46-21-7-2-8-22-46)72-69(71-67)47-35-33-44(34-36-47)49-39-50(48-37-38-55-54-27-13-16-30-58(54)73(60(55)42-48)52-23-9-3-10-24-52)41-51(40-49)64-65-56-28-14-17-31-59(56)74(53-25-11-4-12-26-53)61(65)43-63-66(64)57-29-15-18-32-62(57)75-63/h1-43H.
What are the key properties of 12-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
12-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole has a molecular weight of 958.14 g/mol, XLogP of 17.97, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 171402489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).