2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]

C51H34O — CID 170032385

IUPAC2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C51H34O/c1-50(35-15-3-2-4-16-35)42-22-10-7-19-38(42)41-29-27-33(31-46(41)50)36-17-5-6-18-37(36)34-28-30-49-47(32-34)51(45-25-13-14-26-48(45)52-49)43-23-11-8-20-39(43)40-21-9-12-24-44(40)51/h2-32H,1H3
InChIKeyOBKIKCWVRXTDNV-UHFFFAOYSA-N
MW662.83 g/mol
LogP12.82
Rot. Bonds3

About 2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]

2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene] (PubChem CID 170032385) has the molecular formula C51H34O and a molecular weight of 662.83 g/mol. Its IUPAC name is 2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
PubChem CID170032385
Molecular FormulaC51H34O
Molecular Weight662.83 g/mol
Exact Mass662.26
IUPAC Name2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C51H34O/c1-50(35-15-3-2-4-16-35)42-22-10-7-19-38(42)41-29-27-33(31-46(41)50)36-17-5-6-18-37(36)34-28-30-49-47(32-34)51(45-25-13-14-26-48(45)52-49)43-23-11-8-20-39(43)40-21-9-12-24-44(40)51/h2-32H,1H3
InChIKeyOBKIKCWVRXTDNV-UHFFFAOYSA-N
XLogP12.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.83
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene] with MolForge

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Related Compounds

2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 177127552
2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene]
CID 170020436
5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033320
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene
CID 170020209
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170019693
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'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]
CID 170028881
9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene
CID 170020847
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
CID 177127125
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

Frequently Asked Questions

What is the IUPAC name of 2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene] (CID 170032385) is 2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene] is CC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of 2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]?
The InChIKey is OBKIKCWVRXTDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34O/c1-50(35-15-3-2-4-16-35)42-22-10-7-19-38(42)41-29-27-33(31-46(41)50)36-17-5-6-18-37(36)34-28-30-49-47(32-34)51(45-25-13-14-26-48(45)52-49)43-23-11-8-20-39(43)40-21-9-12-24-44(40)51/h2-32H,1H3.
What are the key properties of 2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]?
2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene] has a molecular weight of 662.83 g/mol, XLogP of 12.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 170032385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).