9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole

C45H30N2 — CID 140587089

IUPAC9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5nccc6ccccc56)c4)c3)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C45H30N2/c1-2-12-31(13-3-1)37-28-38(30-39(29-37)47-43-22-8-6-20-41(43)42-21-7-9-23-44(42)47)35-17-10-15-33(26-35)34-16-11-18-36(27-34)45-40-19-5-4-14-32(40)24-25-46-45/h1-30H
InChIKeyZIGWITRCKNTJPO-UHFFFAOYSA-N
MW598.75 g/mol
LogP12.00
Rot. Bonds5

About 9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole

9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole (PubChem CID 140587089) has the molecular formula C45H30N2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole
PubChem CID140587089
Molecular FormulaC45H30N2
Molecular Weight598.75 g/mol
Exact Mass598.24
IUPAC Name9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5nccc6ccccc56)c4)c3)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C45H30N2/c1-2-12-31(13-3-1)37-28-38(30-39(29-37)47-43-22-8-6-20-41(43)42-21-7-9-23-44(42)47)35-17-10-15-33(26-35)34-16-11-18-36(27-34)45-40-19-5-4-14-32(40)24-25-46-45/h1-30H
InChIKeyZIGWITRCKNTJPO-UHFFFAOYSA-N
XLogP12.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-ditert-butyl-9-[3-(3,6-ditert-butylcarbazol-9-yl)-5-(3-isoquinolin-1-ylphenyl)phenyl]carbazole
CID 59512962
9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole
CID 140607078
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole
CID 139303922
9-[4-[3-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 163436975
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
9-[3-carbazol-9-yl-5-[6-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]carbazole
CID 58527010
1-[3-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 140786417
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 146262895
9-[3-carbazol-9-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 58943250
2-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659751

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole?
The IUPAC name of 9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole (CID 140587089) is 9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole.
What is the SMILES notation for 9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole?
The canonical SMILES for 9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nccc6ccccc56)c4)c3)cc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole?
The InChIKey is ZIGWITRCKNTJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2/c1-2-12-31(13-3-1)37-28-38(30-39(29-37)47-43-22-8-6-20-41(43)42-21-7-9-23-44(42)47)35-17-10-15-33(26-35)34-16-11-18-36(27-34)45-40-19-5-4-14-32(40)24-25-46-45/h1-30H.
What are the key properties of 9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole?
9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole has a molecular weight of 598.75 g/mol, XLogP of 12.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole is sourced from PubChem (CID 140587089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).