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

C54H34N2 — CID 130355607

IUPAC9-[3-[2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-4-pyridinyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C54H34N2/c1-2-16-35(17-3-1)49-33-37(36-18-14-19-38(32-36)56-51-30-12-7-22-41(51)42-23-8-13-31-52(42)56)34-50(55-49)44-25-15-29-48-53(44)43-24-6-11-28-47(43)54(48)45-26-9-4-20-39(45)40-21-5-10-27-46(40)54/h1-34H
InChIKeyWULWSNWWOWZZPM-UHFFFAOYSA-N
MW710.88 g/mol
LogP13.52
Rot. Bonds4

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

9-[3-[2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-4-pyridinyl]phenyl]carbazole (PubChem CID 130355607) has the molecular formula C54H34N2 and a molecular weight of 710.88 g/mol. Its IUPAC name is 9-[3-[2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-4-pyridinyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-4-pyridinyl]phenyl]carbazole
PubChem CID130355607
Molecular FormulaC54H34N2
Molecular Weight710.88 g/mol
Exact Mass710.27
IUPAC Name9-[3-[2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-4-pyridinyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C54H34N2/c1-2-16-35(17-3-1)49-33-37(36-18-14-19-38(32-36)56-51-30-12-7-22-41(51)42-23-8-13-31-52(42)56)34-50(55-49)44-25-15-29-48-53(44)43-24-6-11-28-47(43)54(48)45-26-9-4-20-39(45)40-21-5-10-27-46(40)54/h1-34H
InChIKeyWULWSNWWOWZZPM-UHFFFAOYSA-N
XLogP13.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.88
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 130452824
3'-(3-carbazol-9-ylphenyl)-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 142481659
9-[3-phenanthren-9-yl-5-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-2-pyridinyl]phenyl]-2-phenylcarbazole
CID 139500502
9-[3-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole
CID 159047884
4-phenyl-2-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356492
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943621
9-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
CID 168836616
CID 146661210
CID 146661210
9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane
CID 157279504
9-[3-(4-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-4'-ylpyrimidin-2-yl)phenyl]carbazole
CID 139307474
10-phenyl-4'-[6-phenyl-4-(3-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 146663709
CID 121385110
CID 121385110

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-4-pyridinyl]phenyl]carbazole?
The IUPAC name of 9-[3-[2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-4-pyridinyl]phenyl]carbazole (CID 130355607) is 9-[3-[2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-4-pyridinyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-4-pyridinyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-4-pyridinyl]phenyl]carbazole is c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 9-[3-[2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-4-pyridinyl]phenyl]carbazole?
The InChIKey is WULWSNWWOWZZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2/c1-2-16-35(17-3-1)49-33-37(36-18-14-19-38(32-36)56-51-30-12-7-22-41(51)42-23-8-13-31-52(42)56)34-50(55-49)44-25-15-29-48-53(44)43-24-6-11-28-47(43)54(48)45-26-9-4-20-39(45)40-21-5-10-27-46(40)54/h1-34H.
What are the key properties of 9-[3-[2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-4-pyridinyl]phenyl]carbazole?
9-[3-[2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-4-pyridinyl]phenyl]carbazole has a molecular weight of 710.88 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-4-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 130355607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).