3-phenanthren-2-yl-9,9-diphenylxanthene

C39H26O — CID 177299046

IUPAC3-phenanthren-2-yl-9,9-diphenylxanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc5c(ccc6ccccc65)c4)ccc32)cc1
InChIInChI=1S/C39H26O/c1-3-12-31(13-4-1)39(32-14-5-2-6-15-32)35-17-9-10-18-37(35)40-38-26-29(22-24-36(38)39)28-21-23-34-30(25-28)20-19-27-11-7-8-16-33(27)34/h1-26H
InChIKeyAJRQGUHITITTTM-UHFFFAOYSA-N
MW510.64 g/mol
LogP10.15
Rot. Bonds3

About 3-phenanthren-2-yl-9,9-diphenylxanthene

3-phenanthren-2-yl-9,9-diphenylxanthene (PubChem CID 177299046) has the molecular formula C39H26O and a molecular weight of 510.64 g/mol. Its IUPAC name is 3-phenanthren-2-yl-9,9-diphenylxanthene.

Molecular Properties

Compound Name3-phenanthren-2-yl-9,9-diphenylxanthene
PubChem CID177299046
Molecular FormulaC39H26O
Molecular Weight510.64 g/mol
Exact Mass510.20
IUPAC Name3-phenanthren-2-yl-9,9-diphenylxanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc5c(ccc6ccccc65)c4)ccc32)cc1
InChIInChI=1S/C39H26O/c1-3-12-31(13-4-1)39(32-14-5-2-6-15-32)35-17-9-10-18-37(35)40-38-26-29(22-24-36(38)39)28-21-23-34-30(25-28)20-19-27-11-7-8-16-33(27)34/h1-26H
InChIKeyAJRQGUHITITTTM-UHFFFAOYSA-N
XLogP10.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-phenanthren-2-yl-9,9-diphenylxanthene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene
CID 177298046
3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177126971
9,9-diphenyl-3-[4-(10-phenylphenanthren-9-yl)phenyl]xanthene
CID 177298590
11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 177299035
3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177299078
2-[4-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146388551
2-(9,9-diphenylxanthen-3-yl)-4-naphthalen-2-ylquinazoline
CID 146388381
3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene
CID 177298087
3-(9,9-diphenylxanthen-3-yl)-9-naphthalen-1-ylcarbazole
CID 177298950
2-phenanthren-2-yl-4-phenyl-6-[3-[6'-[3-[3-[4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
CID 146343035
2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146388734
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118

Frequently Asked Questions

What is the IUPAC name of 3-phenanthren-2-yl-9,9-diphenylxanthene?
The IUPAC name of 3-phenanthren-2-yl-9,9-diphenylxanthene (CID 177299046) is 3-phenanthren-2-yl-9,9-diphenylxanthene.
What is the SMILES notation for 3-phenanthren-2-yl-9,9-diphenylxanthene?
The canonical SMILES for 3-phenanthren-2-yl-9,9-diphenylxanthene is c1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc5c(ccc6ccccc65)c4)ccc32)cc1.
What is the InChIKey of 3-phenanthren-2-yl-9,9-diphenylxanthene?
The InChIKey is AJRQGUHITITTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26O/c1-3-12-31(13-4-1)39(32-14-5-2-6-15-32)35-17-9-10-18-37(35)40-38-26-29(22-24-36(38)39)28-21-23-34-30(25-28)20-19-27-11-7-8-16-33(27)34/h1-26H.
What are the key properties of 3-phenanthren-2-yl-9,9-diphenylxanthene?
3-phenanthren-2-yl-9,9-diphenylxanthene has a molecular weight of 510.64 g/mol, XLogP of 10.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenanthren-2-yl-9,9-diphenylxanthene is sourced from PubChem (CID 177299046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).