3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene

C45H30O — CID 177298046

IUPAC3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccccc4-c4cccc5c4ccc4ccccc45)ccc32)cc1
InChIInChI=1S/C45H30O/c1-3-15-33(16-4-1)45(34-17-5-2-6-18-34)41-24-11-12-25-43(41)46-44-30-32(27-29-42(44)45)36-20-9-10-21-37(36)39-23-13-22-38-35-19-8-7-14-31(35)26-28-40(38)39/h1-30H
InChIKeyLLRSAZYZDCQGKC-UHFFFAOYSA-N
MW586.73 g/mol
LogP11.82
Rot. Bonds4

About 3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene

3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene (PubChem CID 177298046) has the molecular formula C45H30O and a molecular weight of 586.73 g/mol. Its IUPAC name is 3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene.

Molecular Properties

Compound Name3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene
PubChem CID177298046
Molecular FormulaC45H30O
Molecular Weight586.73 g/mol
Exact Mass586.23
IUPAC Name3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccccc4-c4cccc5c4ccc4ccccc45)ccc32)cc1
InChIInChI=1S/C45H30O/c1-3-15-33(16-4-1)45(34-17-5-2-6-18-34)41-24-11-12-25-43(41)46-44-30-32(27-29-42(44)45)36-20-9-10-21-37(36)39-23-13-22-38-35-19-8-7-14-31(35)26-28-40(38)39/h1-30H
InChIKeyLLRSAZYZDCQGKC-UHFFFAOYSA-N
XLogP11.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.73
LogP ≤ 511.82
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-phenanthren-2-yl-9,9-diphenylxanthene
CID 177299046
11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 177299035
3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177126971
1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 177297871
1-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 177299030
1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 170029352
3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177298639
9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene
CID 177298590
9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170017292
2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline
CID 146388381
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
CID 177127125
3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole
CID 177298950

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene?
The IUPAC name of 3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene (CID 177298046) is 3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene.
What is the SMILES notation for 3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene?
The canonical SMILES for 3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene is c1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccccc4-c4cccc5c4ccc4ccccc45)ccc32)cc1.
What is the InChIKey of 3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene?
The InChIKey is LLRSAZYZDCQGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30O/c1-3-15-33(16-4-1)45(34-17-5-2-6-18-34)41-24-11-12-25-43(41)46-44-30-32(27-29-42(44)45)36-20-9-10-21-37(36)39-23-13-22-38-35-19-8-7-14-31(35)26-28-40(38)39/h1-30H.
What are the key properties of 3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene?
3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene has a molecular weight of 586.73 g/mol, XLogP of 11.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene is sourced from PubChem (CID 177298046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).