9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene

C51H34O — CID 177298590

IUPAC9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene
SMILESc1ccc(-c2c(-c3ccc(-c4ccc5c(c4)Oc4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C51H34O/c1-4-16-36(17-5-1)49-43-24-12-10-22-41(43)42-23-11-13-25-44(42)50(49)37-30-28-35(29-31-37)38-32-33-46-48(34-38)52-47-27-15-14-26-45(47)51(46,39-18-6-2-7-19-39)40-20-8-3-9-21-40/h1-34H
InChIKeyCDXBTJGCQXSLGX-UHFFFAOYSA-N
MW662.83 g/mol
LogP13.48
Rot. Bonds5

About 9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene

9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene (PubChem CID 177298590) has the molecular formula C51H34O and a molecular weight of 662.83 g/mol. Its IUPAC name is 9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene.

Molecular Properties

Compound Name9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene
PubChem CID177298590
Molecular FormulaC51H34O
Molecular Weight662.83 g/mol
Exact Mass662.26
IUPAC Name9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene
SMILESc1ccc(-c2c(-c3ccc(-c4ccc5c(c4)Oc4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C51H34O/c1-4-16-36(17-5-1)49-43-24-12-10-22-41(43)42-23-11-13-25-44(42)50(49)37-30-28-35(29-31-37)38-32-33-46-48(34-38)52-47-27-15-14-26-45(47)51(46,39-18-6-2-7-19-39)40-20-8-3-9-21-40/h1-34H
InChIKeyCDXBTJGCQXSLGX-UHFFFAOYSA-N
XLogP13.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.83
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
2-[4-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146388551
3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene
CID 177298087
3-phenanthren-2-yl-9,9-diphenylxanthene
CID 177299046
2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146388734
3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177299078
2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine
CID 146388732
9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene
CID 155333539
3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene
CID 177298046
3-[5-[4-(3,4-diphenylphenyl)phenyl]furan-2-yl]-9,9-diphenylxanthene
CID 177298511
3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177126971
11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 177299035

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene?
The IUPAC name of 9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene (CID 177298590) is 9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene.
What is the SMILES notation for 9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene?
The canonical SMILES for 9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene is c1ccc(-c2c(-c3ccc(-c4ccc5c(c4)Oc4ccccc4C5(c4ccccc4)c4ccccc4)cc3)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of 9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene?
The InChIKey is CDXBTJGCQXSLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34O/c1-4-16-36(17-5-1)49-43-24-12-10-22-41(43)42-23-11-13-25-44(42)50(49)37-30-28-35(29-31-37)38-32-33-46-48(34-38)52-47-27-15-14-26-45(47)51(46,39-18-6-2-7-19-39)40-20-8-3-9-21-40/h1-34H.
What are the key properties of 9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene?
9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene has a molecular weight of 662.83 g/mol, XLogP of 13.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene is sourced from PubChem (CID 177298590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).