3,6-diphenyl-9-[9-[1-(4-phenylphenyl)-4,4a-dihydroisoquinolin-3-yl]dibenzofuran-3-yl]carbazole

C57H38N2O — CID 166670204

IUPAC3,6-diphenyl-9-[9-[1-(4-phenylphenyl)-4,4a-dihydroisoquinolin-3-yl]dibenzofuran-3-yl]carbazole
SMILESC1=CC2=C(c3ccc(-c4ccccc4)cc3)N=C(c3cccc4oc5cc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)ccc5c34)CC2C=C1
InChIInChI=1S/C57H38N2O/c1-4-13-37(14-5-1)40-23-25-41(26-24-40)57-46-20-11-10-19-44(46)35-51(58-57)47-21-12-22-54-56(47)48-30-29-45(36-55(48)60-54)59-52-31-27-42(38-15-6-2-7-16-38)33-49(52)50-34-43(28-32-53(50)59)39-17-8-3-9-18-39/h1-34,36,44H,35H2
InChIKeyCJBABDBHXBGJJS-UHFFFAOYSA-N
MW766.94 g/mol
LogP15.03
Rot. Bonds6

About 3,6-diphenyl-9-[9-[1-(4-phenylphenyl)-4,4a-dihydroisoquinolin-3-yl]dibenzofuran-3-yl]carbazole

3,6-diphenyl-9-[9-[1-(4-phenylphenyl)-4,4a-dihydroisoquinolin-3-yl]dibenzofuran-3-yl]carbazole (PubChem CID 166670204) has the molecular formula C57H38N2O and a molecular weight of 766.94 g/mol. Its IUPAC name is 3,6-diphenyl-9-[9-[1-(4-phenylphenyl)-4,4a-dihydroisoquinolin-3-yl]dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name3,6-diphenyl-9-[9-[1-(4-phenylphenyl)-4,4a-dihydroisoquinolin-3-yl]dibenzofuran-3-yl]carbazole
PubChem CID166670204
Molecular FormulaC57H38N2O
Molecular Weight766.94 g/mol
Exact Mass766.30
IUPAC Name3,6-diphenyl-9-[9-[1-(4-phenylphenyl)-4,4a-dihydroisoquinolin-3-yl]dibenzofuran-3-yl]carbazole
SMILESC1=CC2=C(c3ccc(-c4ccccc4)cc3)N=C(c3cccc4oc5cc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)ccc5c34)CC2C=C1
InChIInChI=1S/C57H38N2O/c1-4-13-37(14-5-1)40-23-25-41(26-24-40)57-46-20-11-10-19-44(46)35-51(58-57)47-21-12-22-54-56(47)48-30-29-45(36-55(48)60-54)59-52-31-27-42(38-15-6-2-7-16-38)33-49(52)50-34-43(28-32-53(50)59)39-17-8-3-9-18-39/h1-34,36,44H,35H2
InChIKeyCJBABDBHXBGJJS-UHFFFAOYSA-N
XLogP15.03
TPSA30.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.94
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)dibenzofuran-3-yl]carbazole
CID 170283279
3,6-diphenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole
CID 146334035
2,6-diphenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146334196
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-3-phenylcarbazole
CID 157148440
3-[9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 146334319
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole
CID 177077281
CID 174104051
CID 174104051
9-[9-(4-cyclopenta-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 166670392
3,9-diphenyl-6-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 168768081
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 167329299
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
3-[9-(4-dibenzofuran-3-yl-5-methyl-8-phenyl-4,5,6,7-tetrahydro-1,3-diazocin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168933347

Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-9-[9-[1-(4-phenylphenyl)-4,4a-dihydroisoquinolin-3-yl]dibenzofuran-3-yl]carbazole?
The IUPAC name of 3,6-diphenyl-9-[9-[1-(4-phenylphenyl)-4,4a-dihydroisoquinolin-3-yl]dibenzofuran-3-yl]carbazole (CID 166670204) is 3,6-diphenyl-9-[9-[1-(4-phenylphenyl)-4,4a-dihydroisoquinolin-3-yl]dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 3,6-diphenyl-9-[9-[1-(4-phenylphenyl)-4,4a-dihydroisoquinolin-3-yl]dibenzofuran-3-yl]carbazole?
The canonical SMILES for 3,6-diphenyl-9-[9-[1-(4-phenylphenyl)-4,4a-dihydroisoquinolin-3-yl]dibenzofuran-3-yl]carbazole is C1=CC2=C(c3ccc(-c4ccccc4)cc3)N=C(c3cccc4oc5cc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)ccc5c34)CC2C=C1.
What is the InChIKey of 3,6-diphenyl-9-[9-[1-(4-phenylphenyl)-4,4a-dihydroisoquinolin-3-yl]dibenzofuran-3-yl]carbazole?
The InChIKey is CJBABDBHXBGJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2O/c1-4-13-37(14-5-1)40-23-25-41(26-24-40)57-46-20-11-10-19-44(46)35-51(58-57)47-21-12-22-54-56(47)48-30-29-45(36-55(48)60-54)59-52-31-27-42(38-15-6-2-7-16-38)33-49(52)50-34-43(28-32-53(50)59)39-17-8-3-9-18-39/h1-34,36,44H,35H2.
What are the key properties of 3,6-diphenyl-9-[9-[1-(4-phenylphenyl)-4,4a-dihydroisoquinolin-3-yl]dibenzofuran-3-yl]carbazole?
3,6-diphenyl-9-[9-[1-(4-phenylphenyl)-4,4a-dihydroisoquinolin-3-yl]dibenzofuran-3-yl]carbazole has a molecular weight of 766.94 g/mol, XLogP of 15.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-9-[9-[1-(4-phenylphenyl)-4,4a-dihydroisoquinolin-3-yl]dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 166670204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).