3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole

C66H44N2 — CID 139319565

IUPAC3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3cccc4c3c3cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7ccccc7)ccc6-c6ccccc6)cc5)ccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C66H44N2/c1-5-17-45(18-6-1)50-23-15-24-54(41-50)57-28-16-30-64-66(57)60-43-52(37-40-63(60)67(64)55-25-11-4-12-26-55)48-33-31-47(32-34-48)51-36-39-62-59(42-51)58-27-13-14-29-61(58)68(62)65-44-53(46-19-7-2-8-20-46)35-38-56(65)49-21-9-3-10-22-49/h1-44H
InChIKeyMYPFZMWNSILVKZ-UHFFFAOYSA-N
MW865.09 g/mol
LogP17.88
Rot. Bonds8

About 3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole

3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole (PubChem CID 139319565) has the molecular formula C66H44N2 and a molecular weight of 865.09 g/mol. Its IUPAC name is 3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole
PubChem CID139319565
Molecular FormulaC66H44N2
Molecular Weight865.09 g/mol
Exact Mass864.35
IUPAC Name3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3cccc4c3c3cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7ccccc7)ccc6-c6ccccc6)cc5)ccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C66H44N2/c1-5-17-45(18-6-1)50-23-15-24-54(41-50)57-28-16-30-64-66(57)60-43-52(37-40-63(60)67(64)55-25-11-4-12-26-55)48-33-31-47(32-34-48)51-36-39-62-59(42-51)58-27-13-14-29-61(58)68(62)65-44-53(46-19-7-2-8-20-46)35-38-56(65)49-21-9-3-10-22-49/h1-44H
InChIKeyMYPFZMWNSILVKZ-UHFFFAOYSA-N
XLogP17.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.09
LogP ≤ 517.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319559
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole
CID 134369784
5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319609
3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-5,9-diphenylcarbazole;3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(4-phenylphenyl)carbazole;5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole;5-phenyl-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159660709
5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 139303805
3-[9-(2,4-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(4-phenylphenyl)carbazole
CID 139319655
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 170072812
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345

Frequently Asked Questions

What is the IUPAC name of 3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole?
The IUPAC name of 3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole (CID 139319565) is 3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-c3cccc4c3c3cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7ccccc7)ccc6-c6ccccc6)cc5)ccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole?
The InChIKey is MYPFZMWNSILVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2/c1-5-17-45(18-6-1)50-23-15-24-54(41-50)57-28-16-30-64-66(57)60-43-52(37-40-63(60)67(64)55-25-11-4-12-26-55)48-33-31-47(32-34-48)51-36-39-62-59(42-51)58-27-13-14-29-61(58)68(62)65-44-53(46-19-7-2-8-20-46)35-38-56(65)49-21-9-3-10-22-49/h1-44H.
What are the key properties of 3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole?
3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole has a molecular weight of 865.09 g/mol, XLogP of 17.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole is sourced from PubChem (CID 139319565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).