2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene]

C49H32O — CID 170020436

IUPAC2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene]
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc4c(c3)C3(c5cc6ccccc6cc5O4)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C49H32O/c1-48(35-15-3-2-4-16-35)40-20-10-7-17-36(40)39-25-23-33(27-43(39)48)34-24-26-46-44(29-34)49(45-28-31-13-5-6-14-32(31)30-47(45)50-46)41-21-11-8-18-37(41)38-19-9-12-22-42(38)49/h2-30H,1H3
InChIKeyIDPMZHOJVDXNQN-UHFFFAOYSA-N
MW636.79 g/mol
LogP12.31
Rot. Bonds2

About 2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene]

2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene] (PubChem CID 170020436) has the molecular formula C49H32O and a molecular weight of 636.79 g/mol. Its IUPAC name is 2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene].

Molecular Properties

Compound Name2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene]
PubChem CID170020436
Molecular FormulaC49H32O
Molecular Weight636.79 g/mol
Exact Mass636.25
IUPAC Name2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene]
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc4c(c3)C3(c5cc6ccccc6cc5O4)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C49H32O/c1-48(35-15-3-2-4-16-35)40-20-10-7-17-36(40)39-25-23-33(27-43(39)48)34-24-26-46-44(29-34)49(45-28-31-13-5-6-14-32(31)30-47(45)50-46)41-21-11-8-18-37(41)38-19-9-12-22-42(38)49/h2-30H,1H3
InChIKeyIDPMZHOJVDXNQN-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-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene] 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'-[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
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
9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene
CID 170017622
2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene]
CID 170021111
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
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170019693

Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene]?
The IUPAC name of 2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene] (CID 170020436) is 2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene].
What is the SMILES notation for 2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene]?
The canonical SMILES for 2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene] is CC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc4c(c3)C3(c5cc6ccccc6cc5O4)c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of 2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene]?
The InChIKey is IDPMZHOJVDXNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32O/c1-48(35-15-3-2-4-16-35)40-20-10-7-17-36(40)39-25-23-33(27-43(39)48)34-24-26-46-44(29-34)49(45-28-31-13-5-6-14-32(31)30-47(45)50-46)41-21-11-8-18-37(41)38-19-9-12-22-42(38)49/h2-30H,1H3.
What are the key properties of 2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene]?
2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene] 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-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene] is sourced from PubChem (CID 170020436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).