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

C54H35N3 — CID 170659707

IUPAC2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)cc54)cc3)cc2)cc1
InChIInChI=1S/C54H35N3/c1-2-12-36(13-3-1)37-22-24-38(25-23-37)39-26-28-40(29-27-39)55-49-18-8-6-16-45(49)47-33-31-42(35-53(47)55)57-52-21-11-7-17-46(52)48-32-30-41(34-54(48)57)56-50-19-9-4-14-43(50)44-15-5-10-20-51(44)56/h1-35H
InChIKeyQDIHUIUWWHNORG-UHFFFAOYSA-N
MW725.90 g/mol
LogP14.31
Rot. Bonds5

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

2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole (PubChem CID 170659707) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
PubChem CID170659707
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)cc54)cc3)cc2)cc1
InChIInChI=1S/C54H35N3/c1-2-12-36(13-3-1)37-22-24-38(25-23-37)39-26-28-40(29-27-39)55-49-18-8-6-16-45(49)47-33-31-42(35-53(47)55)57-52-21-11-7-17-46(52)48-32-30-41(34-54(48)57)56-50-19-9-4-14-43(50)44-15-5-10-20-51(44)56/h1-35H
InChIKeyQDIHUIUWWHNORG-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

2-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 118335077
3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole
CID 129061465
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
2-carbazol-9-yl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164807814
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336
5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole
CID 147253407
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 138747135
9-[4-(3,5-diphenylphenyl)phenyl]-2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 135166087
2-(3,6-diphenylcarbazol-9-yl)-9-[4-[2-(3,6-diphenylcarbazol-9-yl)-6-phenylcarbazol-9-yl]phenyl]-6-phenylcarbazole
CID 176786489
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 174179540
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole?
The IUPAC name of 2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole (CID 170659707) is 2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole.
What is the SMILES notation for 2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole?
The canonical SMILES for 2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole is c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)cc54)cc3)cc2)cc1.
What is the InChIKey of 2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole?
The InChIKey is QDIHUIUWWHNORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-2-12-36(13-3-1)37-22-24-38(25-23-37)39-26-28-40(29-27-39)55-49-18-8-6-16-45(49)47-33-31-42(35-53(47)55)57-52-21-11-7-17-46(52)48-32-30-41(34-54(48)57)56-50-19-9-4-14-43(50)44-15-5-10-20-51(44)56/h1-35H.
What are the key properties of 2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole?
2-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 2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole is sourced from PubChem (CID 170659707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).