3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrodibenzofuran-2-yl]-9-phenylcarbazole

C69H46N4O — CID 123309250

IUPAC3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrodibenzofuran-2-yl]-9-phenylcarbazole
SMILESC1=c2oc3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3c2=CC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C1
InChIInChI=1S/C69H46N4O/c1-6-19-45(20-7-1)51-37-52(46-21-8-2-9-22-46)40-55(39-51)67-70-68(56-41-53(47-23-10-3-11-24-47)38-54(42-56)48-25-12-4-13-26-48)72-69(71-67)59-30-18-32-65-66(59)61-44-50(34-36-64(61)74-65)49-33-35-63-60(43-49)58-29-16-17-31-62(58)73(63)57-27-14-5-15-28-57/h1-33,35-44,50H,34H2
InChIKeyWAGOYEKQGNXGQU-UHFFFAOYSA-N
MW947.15 g/mol
LogP16.13
Rot. Bonds9

About 3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrodibenzofuran-2-yl]-9-phenylcarbazole

3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrodibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 123309250) has the molecular formula C69H46N4O and a molecular weight of 947.15 g/mol. Its IUPAC name is 3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrodibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrodibenzofuran-2-yl]-9-phenylcarbazole
PubChem CID123309250
Molecular FormulaC69H46N4O
Molecular Weight947.15 g/mol
Exact Mass946.37
IUPAC Name3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrodibenzofuran-2-yl]-9-phenylcarbazole
SMILESC1=c2oc3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3c2=CC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C1
InChIInChI=1S/C69H46N4O/c1-6-19-45(20-7-1)51-37-52(46-21-8-2-9-22-46)40-55(39-51)67-70-68(56-41-53(47-23-10-3-11-24-47)38-54(42-56)48-25-12-4-13-26-48)72-69(71-67)59-30-18-32-65-66(59)61-44-50(34-36-64(61)74-65)49-33-35-63-60(43-49)58-29-16-17-31-62(58)73(63)57-27-14-5-15-28-57/h1-33,35-44,50H,34H2
InChIKeyWAGOYEKQGNXGQU-UHFFFAOYSA-N
XLogP16.13
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.15
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydrodibenzofuran-2-yl]carbazole
CID 142347158
1,9-diphenyl-6-[9-(4-phenylphenyl)-2,3-dihydrocarbazol-3-yl]carbazole
CID 174277781
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[8-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377414
3-[8-[6-(2,3-dihydrodibenzofuran-2-yl)-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 163864533
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
12-(3-phenylphenyl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydro-[1]benzofuro[3,2-a]carbazole
CID 174373392
9-[4-[4-(2,3-dihydrodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-3-phenylcarbazole
CID 153304402
2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171445377
1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163456699
3-[2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 168768529
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9-phenylcarbazole
CID 154602054

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrodibenzofuran-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrodibenzofuran-2-yl]-9-phenylcarbazole (CID 123309250) is 3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrodibenzofuran-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrodibenzofuran-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrodibenzofuran-2-yl]-9-phenylcarbazole is C1=c2oc3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)c3c2=CC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C1.
What is the InChIKey of 3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrodibenzofuran-2-yl]-9-phenylcarbazole?
The InChIKey is WAGOYEKQGNXGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N4O/c1-6-19-45(20-7-1)51-37-52(46-21-8-2-9-22-46)40-55(39-51)67-70-68(56-41-53(47-23-10-3-11-24-47)38-54(42-56)48-25-12-4-13-26-48)72-69(71-67)59-30-18-32-65-66(59)61-44-50(34-36-64(61)74-65)49-33-35-63-60(43-49)58-29-16-17-31-62(58)73(63)57-27-14-5-15-28-57/h1-33,35-44,50H,34H2.
What are the key properties of 3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrodibenzofuran-2-yl]-9-phenylcarbazole?
3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrodibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 947.15 g/mol, XLogP of 16.13, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrodibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 123309250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).