1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole

C54H35N3 — CID 170659725

IUPAC1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7cccc(-n8c9ccccc9c9ccccc98)c76)cc54)cc3)cc2)cc1
InChIInChI=1S/C54H35N3/c1-2-13-36(14-3-1)37-25-27-38(28-26-37)39-29-31-40(32-30-39)55-48-20-8-4-17-44(48)46-34-33-41(35-53(46)55)56-49-21-9-7-18-45(49)47-19-12-24-52(54(47)56)57-50-22-10-5-15-42(50)43-16-6-11-23-51(43)57/h1-35H
InChIKeyJPFKSEMPSXDGCJ-UHFFFAOYSA-N
MW725.90 g/mol
LogP14.31
Rot. Bonds5

About 1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole

1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole (PubChem CID 170659725) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole.

Molecular Properties

Compound Name1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
PubChem CID170659725
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7cccc(-n8c9ccccc9c9ccccc98)c76)cc54)cc3)cc2)cc1
InChIInChI=1S/C54H35N3/c1-2-13-36(14-3-1)37-25-27-38(28-26-37)39-29-31-40(32-30-39)55-48-20-8-4-17-44(48)46-34-33-41(35-53(46)55)56-49-21-9-7-18-45(49)47-19-12-24-52(54(47)56)57-50-22-10-5-15-42(50)43-16-6-11-23-51(43)57/h1-35H
InChIKeyJPFKSEMPSXDGCJ-UHFFFAOYSA-N
XLogP14.31
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170374776
1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 170660098
triphenyl-[4-[2-[1-(2-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588219
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606
11-(9-phenylcarbazol-2-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 134168610
11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole
CID 164800329
triphenyl-[4-[1-[3-(2-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588416
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
2-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 118335077
[8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170516471
5-(9-phenylcarbazol-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168829

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole?
The IUPAC name of 1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole (CID 170659725) is 1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole.
What is the SMILES notation for 1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole?
The canonical SMILES for 1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole is c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7cccc(-n8c9ccccc9c9ccccc98)c76)cc54)cc3)cc2)cc1.
What is the InChIKey of 1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole?
The InChIKey is JPFKSEMPSXDGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-2-13-36(14-3-1)37-25-27-38(28-26-37)39-29-31-40(32-30-39)55-48-20-8-4-17-44(48)46-34-33-41(35-53(46)55)56-49-21-9-7-18-45(49)47-19-12-24-52(54(47)56)57-50-22-10-5-15-42(50)43-16-6-11-23-51(43)57/h1-35H.
What are the key properties of 1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole?
1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole has a molecular weight of 725.90 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole is sourced from PubChem (CID 170659725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).