9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane

C60H43N3 — CID 157279504

IUPAC9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane
SMILESC.c1ccc(-c2cc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c2)cc1
InChIInChI=1S/C59H39N3.CH4/c1-2-14-40(15-3-1)47-38-54(43-32-28-41(29-33-43)45-16-12-18-48(36-45)61-56-24-8-4-20-50(56)51-21-5-9-25-57(51)61)60-55(39-47)44-34-30-42(31-35-44)46-17-13-19-49(37-46)62-58-26-10-6-22-52(58)53-23-7-11-27-59(53)62;/h1-39H;1H4
InChIKeyAZMMTVHYOWBZQB-UHFFFAOYSA-N
MW806.03 g/mol
LogP16.25
Rot. Bonds7

About 9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane

9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane (PubChem CID 157279504) has the molecular formula C60H43N3 and a molecular weight of 806.03 g/mol. Its IUPAC name is 9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane.

Molecular Properties

Compound Name9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane
PubChem CID157279504
Molecular FormulaC60H43N3
Molecular Weight806.03 g/mol
Exact Mass805.35
IUPAC Name9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane
SMILESC.c1ccc(-c2cc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c2)cc1
InChIInChI=1S/C59H39N3.CH4/c1-2-14-40(15-3-1)47-38-54(43-32-28-41(29-33-43)45-16-12-18-48(36-45)61-56-24-8-4-20-50(56)51-21-5-9-25-57(51)61)60-55(39-47)44-34-30-42(31-35-44)46-17-13-19-49(37-46)62-58-26-10-6-22-52(58)53-23-7-11-27-59(53)62;/h1-39H;1H4
InChIKeyAZMMTVHYOWBZQB-UHFFFAOYSA-N
XLogP16.25
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.03
LogP ≤ 516.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943621
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943390
9-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58943594
9-[4-[4-[3-[3-[3-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]-5-phenylphenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
CID 58943378
2-[3-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149380
5-(3-phenylphenyl)-7-[4-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155241176
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943750
9-[4-[4-[3-[3-[4-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole;9-[4-[4-[3-[4-[4-[2,6-bis(4-carbazol-9-ylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-6-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
CID 157372045
9-[3-carbazol-9-yl-5-[6-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-2-pyridinyl]phenyl]carbazole
CID 58527010
9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole
CID 58526954
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
9-[3-carbazol-9-yl-5-[4-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole
CID 58526987

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane?
The IUPAC name of 9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane (CID 157279504) is 9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane.
What is the SMILES notation for 9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane?
The canonical SMILES for 9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane is C.c1ccc(-c2cc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c2)cc1.
What is the InChIKey of 9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane?
The InChIKey is AZMMTVHYOWBZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3.CH4/c1-2-14-40(15-3-1)47-38-54(43-32-28-41(29-33-43)45-16-12-18-48(36-45)61-56-24-8-4-20-50(56)51-21-5-9-25-57(51)61)60-55(39-47)44-34-30-42(31-35-44)46-17-13-19-49(37-46)62-58-26-10-6-22-52(58)53-23-7-11-27-59(53)62;/h1-39H;1H4.
What are the key properties of 9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane?
9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane has a molecular weight of 806.03 g/mol, XLogP of 16.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane is sourced from PubChem (CID 157279504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).