1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole

C54H35N3 — CID 170374776

IUPAC1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)c54)c3)c2)cc1
InChIInChI=1S/C54H35N3/c1-2-15-36(16-3-1)37-17-12-18-38(33-37)39-19-13-20-40(34-39)56-50-28-10-7-24-45(50)47-25-14-30-52(54(47)56)57-51-29-11-6-23-44(51)46-32-31-41(35-53(46)57)55-48-26-8-4-21-42(48)43-22-5-9-27-49(43)55/h1-35H
InChIKeyFFJWDSIGFYJIGM-UHFFFAOYSA-N
MW725.90 g/mol
LogP14.31
Rot. Bonds5

About 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole

1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole (PubChem CID 170374776) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
PubChem CID170374776
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)c54)c3)c2)cc1
InChIInChI=1S/C54H35N3/c1-2-15-36(16-3-1)37-17-12-18-38(33-37)39-19-13-20-40(34-39)56-50-28-10-7-24-45(50)47-25-14-30-52(54(47)56)57-51-29-11-6-23-44(51)46-32-31-41(35-53(46)57)55-48-26-8-4-21-42(48)43-22-5-9-27-49(43)55/h1-35H
InChIKeyFFJWDSIGFYJIGM-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

11-(9-phenylcarbazol-2-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 134168610
1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659725
11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole
CID 164800329
1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 170660098
[8-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane
CID 170515630
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606
2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659751
2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170374188
triphenyl-[4-[2-[1-(2-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588219
2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-(3-phenylphenyl)carbazole;2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165058453
7-methyl-5-[9-[3-(3-phenylphenyl)phenyl]carbazol-1-yl]indolo[2,3-b]carbazole;7-methyl-5-[9-[3-(3-phenylphenyl)phenyl]carbazol-2-yl]indolo[2,3-b]carbazole;5-methyl-12-[9-[3-(3-phenylphenyl)phenyl]carbazol-4-yl]indolo[3,2-c]carbazole
CID 159989591
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole?
The IUPAC name of 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole (CID 170374776) is 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole is c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)c54)c3)c2)cc1.
What is the InChIKey of 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole?
The InChIKey is FFJWDSIGFYJIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-2-15-36(16-3-1)37-17-12-18-38(33-37)39-19-13-20-40(34-39)56-50-28-10-7-24-45(50)47-25-14-30-52(54(47)56)57-51-29-11-6-23-44(51)46-32-31-41(35-53(46)57)55-48-26-8-4-21-42(48)43-22-5-9-27-49(43)55/h1-35H.
What are the key properties of 1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole?
1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]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-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 170374776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).