3-[9-(3,5-diphenylphenyl)carbazol-3-yl]oxy-9-(9-methylcarbazol-3-yl)carbazole

C55H37N3O — CID 71232662

IUPAC3-[9-(3,5-diphenylphenyl)carbazol-3-yl]oxy-9-(9-methylcarbazol-3-yl)carbazole
SMILESCn1c2ccccc2c2cc(-n3c4ccccc4c4cc(Oc5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc43)ccc21
InChIInChI=1S/C55H37N3O/c1-56-50-21-11-8-18-44(50)47-33-40(24-27-51(47)56)57-52-22-12-9-19-45(52)48-34-42(25-28-54(48)57)59-43-26-29-55-49(35-43)46-20-10-13-23-53(46)58(55)41-31-38(36-14-4-2-5-15-36)30-39(32-41)37-16-6-3-7-17-37/h2-35H,1H3
InChIKeyBSRLAFAWPNSUJE-UHFFFAOYSA-N
MW755.92 g/mol
LogP14.65
Rot. Bonds6

About 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]oxy-9-(9-methylcarbazol-3-yl)carbazole

3-[9-(3,5-diphenylphenyl)carbazol-3-yl]oxy-9-(9-methylcarbazol-3-yl)carbazole (PubChem CID 71232662) has the molecular formula C55H37N3O and a molecular weight of 755.92 g/mol. Its IUPAC name is 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]oxy-9-(9-methylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-[9-(3,5-diphenylphenyl)carbazol-3-yl]oxy-9-(9-methylcarbazol-3-yl)carbazole
PubChem CID71232662
Molecular FormulaC55H37N3O
Molecular Weight755.92 g/mol
Exact Mass755.29
IUPAC Name3-[9-(3,5-diphenylphenyl)carbazol-3-yl]oxy-9-(9-methylcarbazol-3-yl)carbazole
SMILESCn1c2ccccc2c2cc(-n3c4ccccc4c4cc(Oc5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc43)ccc21
InChIInChI=1S/C55H37N3O/c1-56-50-21-11-8-18-44(50)47-33-40(24-27-51(47)56)57-52-22-12-9-19-45(52)48-34-42(25-28-54(48)57)59-43-26-29-55-49(35-43)46-20-10-13-23-53(46)58(55)41-31-38(36-14-4-2-5-15-36)30-39(32-41)37-16-6-3-7-17-37/h2-35H,1H3
InChIKeyBSRLAFAWPNSUJE-UHFFFAOYSA-N
XLogP14.65
TPSA24.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.92
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole
CID 71232754
9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
CID 71232675
9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
CID 118137351
3-[9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-3-yl]oxy-9-phenylcarbazole;3-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]oxy-9-dibenzothiophen-2-ylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)oxy-9-(3,5-diphenylphenyl)carbazole;3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]oxy-9-phenylcarbazole;3-[9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazol-3-yl]oxy-9-phenylcarbazole
CID 159639230
3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole
CID 138601418
11-(3,5-diphenylphenyl)-5-methylindolo[3,2-b]carbazole;5-methyl-11-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-methyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 159913931
7-[9-(3-phenylphenyl)carbazol-3-yl]-5-[3-phenyl-5-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 156674054
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-phenylcarbazole
CID 163609508
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158535060
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]oxy-9-(9-methylcarbazol-3-yl)carbazole?
The IUPAC name of 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]oxy-9-(9-methylcarbazol-3-yl)carbazole (CID 71232662) is 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]oxy-9-(9-methylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]oxy-9-(9-methylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]oxy-9-(9-methylcarbazol-3-yl)carbazole is Cn1c2ccccc2c2cc(-n3c4ccccc4c4cc(Oc5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc43)ccc21.
What is the InChIKey of 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]oxy-9-(9-methylcarbazol-3-yl)carbazole?
The InChIKey is BSRLAFAWPNSUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3O/c1-56-50-21-11-8-18-44(50)47-33-40(24-27-51(47)56)57-52-22-12-9-19-45(52)48-34-42(25-28-54(48)57)59-43-26-29-55-49(35-43)46-20-10-13-23-53(46)58(55)41-31-38(36-14-4-2-5-15-36)30-39(32-41)37-16-6-3-7-17-37/h2-35H,1H3.
What are the key properties of 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]oxy-9-(9-methylcarbazol-3-yl)carbazole?
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]oxy-9-(9-methylcarbazol-3-yl)carbazole has a molecular weight of 755.92 g/mol, XLogP of 14.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]oxy-9-(9-methylcarbazol-3-yl)carbazole is sourced from PubChem (CID 71232662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).