2-[9-[3-[9-[3-(9-imidazol-1-ylfluoren-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]-4-propan-2-ylpyridine

C62H45N3 — CID 155113849

IUPAC2-[9-[3-[9-[3-(9-imidazol-1-ylfluoren-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]-4-propan-2-ylpyridine
SMILESCC(C)c1ccnc(C2(c3cccc(C4(c5cccc(C6(n7ccnc7)c7ccccc7-c7ccccc76)c5)c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C62H45N3/c1-41(2)42-33-34-64-59(37-42)61(55-29-11-5-23-49(55)50-24-6-12-30-56(50)61)45-19-15-17-43(38-45)60(53-27-9-3-21-47(53)48-22-4-10-28-54(48)60)44-18-16-20-46(39-44)62(65-36-35-63-40-65)57-31-13-7-25-51(57)52-26-8-14-32-58(52)62/h3-41H,1-2H3
InChIKeyFXIWABOMKYTBHY-UHFFFAOYSA-N
MW832.06 g/mol
LogP13.95
Rot. Bonds7

About 2-[9-[3-[9-[3-(9-imidazol-1-ylfluoren-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]-4-propan-2-ylpyridine

2-[9-[3-[9-[3-(9-imidazol-1-ylfluoren-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]-4-propan-2-ylpyridine (PubChem CID 155113849) has the molecular formula C62H45N3 and a molecular weight of 832.06 g/mol. Its IUPAC name is 2-[9-[3-[9-[3-(9-imidazol-1-ylfluoren-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-[9-[3-[9-[3-(9-imidazol-1-ylfluoren-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]-4-propan-2-ylpyridine
PubChem CID155113849
Molecular FormulaC62H45N3
Molecular Weight832.06 g/mol
Exact Mass831.36
IUPAC Name2-[9-[3-[9-[3-(9-imidazol-1-ylfluoren-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]-4-propan-2-ylpyridine
SMILESCC(C)c1ccnc(C2(c3cccc(C4(c5cccc(C6(n7ccnc7)c7ccccc7-c7ccccc76)c5)c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C62H45N3/c1-41(2)42-33-34-64-59(37-42)61(55-29-11-5-23-49(55)50-24-6-12-30-56(50)61)45-19-15-17-43(38-45)60(53-27-9-3-21-47(53)48-22-4-10-28-54(48)60)44-18-16-20-46(39-44)62(65-36-35-63-40-65)57-31-13-7-25-51(57)52-26-8-14-32-58(52)62/h3-41H,1-2H3
InChIKeyFXIWABOMKYTBHY-UHFFFAOYSA-N
XLogP13.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.06
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[9-[3-[9-[3-[9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine
CID 155614441
5-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-5-[3-[5-[3-[5-(4-methyl-2-pyridinyl)indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridin-5-yl]phenyl]indeno[1,2-c]pyridine
CID 155614327
2-[9-[3-[9-[3-[9-(3,4-dimethyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine
CID 176592362
2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine
CID 155614289
2-[9-[3-[9-[3-[9-(3,4-dimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]pyridine
CID 155614399
2-[9-[3-[9-[3-[9-(3,4-dimethyl-2H-imidazol-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]-4-propan-2-ylpyridine;platinum
CID 176592343
9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9-[3-[9-[3-[9-(4-propan-2-yl-2-pyridinyl)indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridine;platinum
CID 155614355
18-propan-2-ylspiro[1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,9'-fluorene]-14-ol
CID 134561003
9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene
CID 58142028
2-(9-phenylfluoren-9-yl)pyrazine
CID 177449195
2-[9-[3-[9-[3-[2,7-dimethyl-9-(3-methyl-2H-imidazol-1-yl)fluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-2,7-dimethylfluoren-9-yl]-4-methylpyridine
CID 176592380
9-[3-[9-[3-[9-(dimethylamino)fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]-N,N-dimethylfluoren-9-amine
CID 140589682

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-[9-[3-(9-imidazol-1-ylfluoren-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]-4-propan-2-ylpyridine?
The IUPAC name of 2-[9-[3-[9-[3-(9-imidazol-1-ylfluoren-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]-4-propan-2-ylpyridine (CID 155113849) is 2-[9-[3-[9-[3-(9-imidazol-1-ylfluoren-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]-4-propan-2-ylpyridine.
What is the SMILES notation for 2-[9-[3-[9-[3-(9-imidazol-1-ylfluoren-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]-4-propan-2-ylpyridine?
The canonical SMILES for 2-[9-[3-[9-[3-(9-imidazol-1-ylfluoren-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]-4-propan-2-ylpyridine is CC(C)c1ccnc(C2(c3cccc(C4(c5cccc(C6(n7ccnc7)c7ccccc7-c7ccccc76)c5)c5ccccc5-c5ccccc54)c3)c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 2-[9-[3-[9-[3-(9-imidazol-1-ylfluoren-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]-4-propan-2-ylpyridine?
The InChIKey is FXIWABOMKYTBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45N3/c1-41(2)42-33-34-64-59(37-42)61(55-29-11-5-23-49(55)50-24-6-12-30-56(50)61)45-19-15-17-43(38-45)60(53-27-9-3-21-47(53)48-22-4-10-28-54(48)60)44-18-16-20-46(39-44)62(65-36-35-63-40-65)57-31-13-7-25-51(57)52-26-8-14-32-58(52)62/h3-41H,1-2H3.
What are the key properties of 2-[9-[3-[9-[3-(9-imidazol-1-ylfluoren-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]-4-propan-2-ylpyridine?
2-[9-[3-[9-[3-(9-imidazol-1-ylfluoren-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]-4-propan-2-ylpyridine has a molecular weight of 832.06 g/mol, XLogP of 13.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-[9-[3-(9-imidazol-1-ylfluoren-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]-4-propan-2-ylpyridine is sourced from PubChem (CID 155113849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).