9-[4-[4-[3-(4-phenylphenyl)-3-[4-(4-phenylphenyl)phenyl]propyl]phenyl]phenyl]carbazole

C57H43N — CID 156568545

IUPAC9-[4-[4-[3-(4-phenylphenyl)-3-[4-(4-phenylphenyl)phenyl]propyl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(C(CCc4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C57H43N/c1-3-11-42(12-4-1)45-24-26-47(27-25-45)48-30-34-51(35-31-48)53(50-32-28-46(29-33-50)43-13-5-2-6-14-43)40-21-41-19-22-44(23-20-41)49-36-38-52(39-37-49)58-56-17-9-7-15-54(56)55-16-8-10-18-57(55)58/h1-20,22-39,53H,21,40H2
InChIKeyKIRLLODMPDEHIP-UHFFFAOYSA-N
MW741.98 g/mol
LogP15.22
Rot. Bonds10

About 9-[4-[4-[3-(4-phenylphenyl)-3-[4-(4-phenylphenyl)phenyl]propyl]phenyl]phenyl]carbazole

9-[4-[4-[3-(4-phenylphenyl)-3-[4-(4-phenylphenyl)phenyl]propyl]phenyl]phenyl]carbazole (PubChem CID 156568545) has the molecular formula C57H43N and a molecular weight of 741.98 g/mol. Its IUPAC name is 9-[4-[4-[3-(4-phenylphenyl)-3-[4-(4-phenylphenyl)phenyl]propyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[3-(4-phenylphenyl)-3-[4-(4-phenylphenyl)phenyl]propyl]phenyl]phenyl]carbazole
PubChem CID156568545
Molecular FormulaC57H43N
Molecular Weight741.98 g/mol
Exact Mass741.34
IUPAC Name9-[4-[4-[3-(4-phenylphenyl)-3-[4-(4-phenylphenyl)phenyl]propyl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(C(CCc4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C57H43N/c1-3-11-42(12-4-1)45-24-26-47(27-25-45)48-30-34-51(35-31-48)53(50-32-28-46(29-33-50)43-13-5-2-6-14-43)40-21-41-19-22-44(23-20-41)49-36-38-52(39-37-49)58-56-17-9-7-15-54(56)55-16-8-10-18-57(55)58/h1-20,22-39,53H,21,40H2
InChIKeyKIRLLODMPDEHIP-UHFFFAOYSA-N
XLogP15.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.98
LogP ≤ 515.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[3-(4-phenylphenyl)-3-[4-(4-phenylphenyl)phenyl]propyl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[3-(4-phenylphenyl)-3-[4-(4-phenylphenyl)phenyl]propyl]phenyl]phenyl]carbazole (CID 156568545) is 9-[4-[4-[3-(4-phenylphenyl)-3-[4-(4-phenylphenyl)phenyl]propyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[3-(4-phenylphenyl)-3-[4-(4-phenylphenyl)phenyl]propyl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[3-(4-phenylphenyl)-3-[4-(4-phenylphenyl)phenyl]propyl]phenyl]phenyl]carbazole is c1ccc(-c2ccc(-c3ccc(C(CCc4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 9-[4-[4-[3-(4-phenylphenyl)-3-[4-(4-phenylphenyl)phenyl]propyl]phenyl]phenyl]carbazole?
The InChIKey is KIRLLODMPDEHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N/c1-3-11-42(12-4-1)45-24-26-47(27-25-45)48-30-34-51(35-31-48)53(50-32-28-46(29-33-50)43-13-5-2-6-14-43)40-21-41-19-22-44(23-20-41)49-36-38-52(39-37-49)58-56-17-9-7-15-54(56)55-16-8-10-18-57(55)58/h1-20,22-39,53H,21,40H2.
What are the key properties of 9-[4-[4-[3-(4-phenylphenyl)-3-[4-(4-phenylphenyl)phenyl]propyl]phenyl]phenyl]carbazole?
9-[4-[4-[3-(4-phenylphenyl)-3-[4-(4-phenylphenyl)phenyl]propyl]phenyl]phenyl]carbazole has a molecular weight of 741.98 g/mol, XLogP of 15.22, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[3-(4-phenylphenyl)-3-[4-(4-phenylphenyl)phenyl]propyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 156568545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).