2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]

C49H32O — CID 177127552

IUPAC2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]
SMILESCC1(c2ccccc2)c2cc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C49H32O/c1-48(35-15-3-2-4-16-35)43-29-33(23-25-38(43)39-27-31-13-5-6-14-32(31)28-44(39)48)34-24-26-47-45(30-34)49(42-21-11-12-22-46(42)50-47)40-19-9-7-17-36(40)37-18-8-10-20-41(37)49/h2-30H,1H3
InChIKeyKLZNGSBNUHWDNW-UHFFFAOYSA-N
MW636.79 g/mol
LogP12.31
Rot. Bonds2

About 2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]

2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene] (PubChem CID 177127552) has the molecular formula C49H32O and a molecular weight of 636.79 g/mol. Its IUPAC name is 2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]
PubChem CID177127552
Molecular FormulaC49H32O
Molecular Weight636.79 g/mol
Exact Mass636.25
IUPAC Name2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]
SMILESCC1(c2ccccc2)c2cc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C49H32O/c1-48(35-15-3-2-4-16-35)43-29-33(23-25-38(43)39-27-31-13-5-6-14-32(31)28-44(39)48)34-24-26-47-45(30-34)49(42-21-11-12-22-46(42)50-47)40-19-9-7-17-36(40)37-18-8-10-20-41(37)49/h2-30H,1H3
InChIKeyKLZNGSBNUHWDNW-UHFFFAOYSA-N
XLogP12.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.79
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene] with MolForge

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Related Compounds

2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene]
CID 170020436
2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170032385
2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]
CID 170028881
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene
CID 170020209
3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene
CID 170027969
9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene
CID 170020051
9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene
CID 170017622
4-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170025175
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
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
CID 177127125
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170019693

Frequently Asked Questions

What is the IUPAC name of 2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene] (CID 177127552) is 2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene] is CC1(c2ccccc2)c2cc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)ccc2-c2cc3ccccc3cc21.
What is the InChIKey of 2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]?
The InChIKey is KLZNGSBNUHWDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32O/c1-48(35-15-3-2-4-16-35)43-29-33(23-25-38(43)39-27-31-13-5-6-14-32(31)28-44(39)48)34-24-26-47-45(30-34)49(42-21-11-12-22-46(42)50-47)40-19-9-7-17-36(40)37-18-8-10-20-41(37)49/h2-30H,1H3.
What are the key properties of 2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]?
2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene] has a molecular weight of 636.79 g/mol, XLogP of 12.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 177127552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).