2'-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]spiro[fluorene-9,9'-xanthene]

C58H48O — CID 170037301

IUPAC2'-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]spiro[fluorene-9,9'-xanthene]
SMILESCC(C)(C)c1cccc(C2(c3cccc(C(C)(C)C)c3)c3ccccc3-c3c(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cccc32)c1
InChIInChI=1S/C58H48O/c1-55(2,3)38-18-15-20-40(35-38)57(41-21-16-19-39(36-41)56(4,5)6)48-28-12-9-24-45(48)54-42(25-17-30-50(54)57)37-32-33-53-51(34-37)58(49-29-13-14-31-52(49)59-53)46-26-10-7-22-43(46)44-23-8-11-27-47(44)58/h7-36H,1-6H3
InChIKeyVJIVHKYHORUQRI-UHFFFAOYSA-N
MW761.02 g/mol
LogP14.78
Rot. Bonds3

About 2'-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]spiro[fluorene-9,9'-xanthene]

2'-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]spiro[fluorene-9,9'-xanthene] (PubChem CID 170037301) has the molecular formula C58H48O and a molecular weight of 761.02 g/mol. Its IUPAC name is 2'-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2'-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]spiro[fluorene-9,9'-xanthene]
PubChem CID170037301
Molecular FormulaC58H48O
Molecular Weight761.02 g/mol
Exact Mass760.37
IUPAC Name2'-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]spiro[fluorene-9,9'-xanthene]
SMILESCC(C)(C)c1cccc(C2(c3cccc(C(C)(C)C)c3)c3ccccc3-c3c(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cccc32)c1
InChIInChI=1S/C58H48O/c1-55(2,3)38-18-15-20-40(35-38)57(41-21-16-19-39(36-41)56(4,5)6)48-28-12-9-24-45(48)54-42(25-17-30-50(54)57)37-32-33-53-51(34-37)58(49-29-13-14-31-52(49)59-53)46-26-10-7-22-43(46)44-23-8-11-27-47(44)58/h7-36H,1-6H3
InChIKeyVJIVHKYHORUQRI-UHFFFAOYSA-N
XLogP14.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.02
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170017230
2'-(9,9-diphenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
CID 170018800
9,9-diphenyl-2-spiro[benzo[a]phenalene-7,9'-fluorene]-4'-ylxanthene
CID 170018464
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170019693
2'-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylspiro[fluorene-9,9'-xanthene]
CID 170037300
9,9-bis(3-tert-butylphenyl)-2-methylfluorene;2',7'-ditert-butyl-2-methyl-9,9'-spirobi[fluorene];2-methylspiro[fluorene-9,9'-xanthene];2'-methylspiro[fluorene-9,9'-xanthene];4'-methylspiro[fluorene-9,9'-xanthene]
CID 163917294
2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene
CID 177127900
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
2'-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-4-ylspiro[fluorene-9,9'-xanthene]
CID 170037298
9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene
CID 170032976
9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene
CID 170020051

Frequently Asked Questions

What is the IUPAC name of 2'-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2'-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]spiro[fluorene-9,9'-xanthene] (CID 170037301) is 2'-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2'-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2'-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]spiro[fluorene-9,9'-xanthene] is CC(C)(C)c1cccc(C2(c3cccc(C(C)(C)C)c3)c3ccccc3-c3c(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cccc32)c1.
What is the InChIKey of 2'-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]spiro[fluorene-9,9'-xanthene]?
The InChIKey is VJIVHKYHORUQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48O/c1-55(2,3)38-18-15-20-40(35-38)57(41-21-16-19-39(36-41)56(4,5)6)48-28-12-9-24-45(48)54-42(25-17-30-50(54)57)37-32-33-53-51(34-37)58(49-29-13-14-31-52(49)59-53)46-26-10-7-22-43(46)44-23-8-11-27-47(44)58/h7-36H,1-6H3.
What are the key properties of 2'-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]spiro[fluorene-9,9'-xanthene]?
2'-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]spiro[fluorene-9,9'-xanthene] has a molecular weight of 761.02 g/mol, XLogP of 14.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 170037301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).