9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole

C53H35N3 — CID 122622889

IUPAC9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole
SMILESc1cc(-c2cncc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)c2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C53H35N3/c1-5-25-50-46(21-1)47-22-2-6-26-51(47)55(50)44-19-11-17-40(32-44)36-13-9-15-38(29-36)42-31-43(35-54-34-42)39-16-10-14-37(30-39)41-18-12-20-45(33-41)56-52-27-7-3-23-48(52)49-24-4-8-28-53(49)56/h1-35H
InChIKeyLAOZYIDPJAUDJM-UHFFFAOYSA-N
MW713.88 g/mol
LogP13.94
Rot. Bonds6

About 9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole

9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole (PubChem CID 122622889) has the molecular formula C53H35N3 and a molecular weight of 713.88 g/mol. Its IUPAC name is 9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole
PubChem CID122622889
Molecular FormulaC53H35N3
Molecular Weight713.88 g/mol
Exact Mass713.28
IUPAC Name9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole
SMILESc1cc(-c2cncc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)c2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C53H35N3/c1-5-25-50-46(21-1)47-22-2-6-26-51(47)55(50)44-19-11-17-40(32-44)36-13-9-15-38(29-36)42-31-43(35-54-34-42)39-16-10-14-37(30-39)41-18-12-20-45(33-41)56-52-27-7-3-23-48(52)49-24-4-8-28-53(49)56/h1-35H
InChIKeyLAOZYIDPJAUDJM-UHFFFAOYSA-N
XLogP13.94
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[5-[4-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]carbazole
CID 59372061
9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 159084333
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-3-pyridinyl]carbazole
CID 141339083
9-[3-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58273653
3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole
CID 126749641
5-[3,5-bis[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]pyrido[4,3-b]indole
CID 164785743
9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 89433885
9-[3-[5-[3-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]phenyl]-3-pyridinyl]phenyl]carbazole
CID 167161151
9-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901354
9-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 161402260

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole (CID 122622889) is 9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole is c1cc(-c2cncc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)c2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole?
The InChIKey is LAOZYIDPJAUDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3/c1-5-25-50-46(21-1)47-22-2-6-26-51(47)55(50)44-19-11-17-40(32-44)36-13-9-15-38(29-36)42-31-43(35-54-34-42)39-16-10-14-37(30-39)41-18-12-20-45(33-41)56-52-27-7-3-23-48(52)49-24-4-8-28-53(49)56/h1-35H.
What are the key properties of 9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole?
9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole has a molecular weight of 713.88 g/mol, XLogP of 13.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-[5-[3-(3-carbazol-9-ylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 122622889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).