9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole

C66H42N2 — CID 130452824

IUPAC9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)cc2)cc1
InChIInChI=1S/C66H42N2/c1-2-15-43(16-3-1)44-29-31-46(32-30-44)50-41-62(67-63(42-50)49-17-14-18-51(39-49)68-64-27-12-7-22-56(64)57-23-8-13-28-65(57)68)47-35-33-45(34-36-47)48-37-38-55-54-21-6-11-26-60(54)66(61(55)40-48)58-24-9-4-19-52(58)53-20-5-10-25-59(53)66/h1-42H
InChIKeyATBUAHFEQBEQIQ-UHFFFAOYSA-N
MW863.08 g/mol
LogP16.86
Rot. Bonds6

About 9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole

9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole (PubChem CID 130452824) has the molecular formula C66H42N2 and a molecular weight of 863.08 g/mol. Its IUPAC name is 9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
PubChem CID130452824
Molecular FormulaC66H42N2
Molecular Weight863.08 g/mol
Exact Mass862.33
IUPAC Name9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)cc2)cc1
InChIInChI=1S/C66H42N2/c1-2-15-43(16-3-1)44-29-31-46(32-30-44)50-41-62(67-63(42-50)49-17-14-18-51(39-49)68-64-27-12-7-22-56(64)57-23-8-13-28-65(57)68)47-35-33-45(34-36-47)48-37-38-55-54-21-6-11-26-60(54)66(61(55)40-48)58-24-9-4-19-52(58)53-20-5-10-25-59(53)66/h1-42H
InChIKeyATBUAHFEQBEQIQ-UHFFFAOYSA-N
XLogP16.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.08
LogP ≤ 516.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[3-[2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-4-pyridinyl]phenyl]carbazole
CID 130355607
9-[2-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 88887022
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943621
9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane
CID 157279504
10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 118231882
2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 161308623
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974
10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 159371492
9-[3-carbazol-9-yl-5-[7-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]-9,9-dimethylfluoren-2-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[3-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole
CID 159181801
CID 121385110
CID 121385110
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole?
The IUPAC name of 9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole (CID 130452824) is 9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)cc2)cc1.
What is the InChIKey of 9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole?
The InChIKey is ATBUAHFEQBEQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2/c1-2-15-43(16-3-1)44-29-31-46(32-30-44)50-41-62(67-63(42-50)49-17-14-18-51(39-49)68-64-27-12-7-22-56(64)57-23-8-13-28-65(57)68)47-35-33-45(34-36-47)48-37-38-55-54-21-6-11-26-60(54)66(61(55)40-48)58-24-9-4-19-52(58)53-20-5-10-25-59(53)66/h1-42H.
What are the key properties of 9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole?
9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole has a molecular weight of 863.08 g/mol, XLogP of 16.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 130452824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).