9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene

C50H32O — CID 170017165

IUPAC9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C50H32O/c1-3-15-35(16-4-1)49(36-17-5-2-6-18-36)44-25-13-14-26-47(44)51-48-30-28-34(32-46(48)49)33-27-29-40-39-21-9-12-24-43(39)50(45(40)31-33)41-22-10-7-19-37(41)38-20-8-11-23-42(38)50/h1-32H
InChIKeyDHEKSHHZAJKMPR-UHFFFAOYSA-N
MW648.81 g/mol
LogP12.19
Rot. Bonds3

About 9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene

9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene (PubChem CID 170017165) has the molecular formula C50H32O and a molecular weight of 648.81 g/mol. Its IUPAC name is 9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene.

Molecular Properties

Compound Name9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
PubChem CID170017165
Molecular FormulaC50H32O
Molecular Weight648.81 g/mol
Exact Mass648.25
IUPAC Name9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C50H32O/c1-3-15-35(16-4-1)49(36-17-5-2-6-18-36)44-25-13-14-26-47(44)51-48-30-28-34(32-46(48)49)33-27-29-40-39-21-9-12-24-43(39)50(45(40)31-33)41-22-10-7-19-37(41)38-20-8-11-23-42(38)50/h1-32H
InChIKeyDHEKSHHZAJKMPR-UHFFFAOYSA-N
XLogP12.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene
CID 170018311
N-(9,9-diphenylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477449
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
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176947
2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170032385
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]
CID 59096369
2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 177127552
2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
9,9-diphenyl-2-spiro[benzo[a]phenalene-7,9'-fluorene]-4'-ylxanthene
CID 170018464

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene?
The IUPAC name of 9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene (CID 170017165) is 9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene.
What is the SMILES notation for 9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene?
The canonical SMILES for 9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene is c1ccc(C2(c3ccccc3)c3ccccc3Oc3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc32)cc1.
What is the InChIKey of 9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene?
The InChIKey is DHEKSHHZAJKMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32O/c1-3-15-35(16-4-1)49(36-17-5-2-6-18-36)44-25-13-14-26-47(44)51-48-30-28-34(32-46(48)49)33-27-29-40-39-21-9-12-24-43(39)50(45(40)31-33)41-22-10-7-19-37(41)38-20-8-11-23-42(38)50/h1-32H.
What are the key properties of 9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene?
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene has a molecular weight of 648.81 g/mol, XLogP of 12.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene is sourced from PubChem (CID 170017165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).