1-[10-[3-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-7-propan-2-yldibenzofuran

C45H32O — CID 171449473

IUPAC1-[10-[3-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-7-propan-2-yldibenzofuran
SMILES[2H]c1ccc2cc(-c3cccc(-c4c5ccccc5c(-c5cccc6oc7cc(C(C)C)ccc7c56)c5ccccc45)c3)ccc2c1
InChIInChI=1S/C45H32O/c1-28(2)30-23-24-39-42(27-30)46-41-20-10-19-40(45(39)41)44-37-17-7-5-15-35(37)43(36-16-6-8-18-38(36)44)34-14-9-13-32(26-34)33-22-21-29-11-3-4-12-31(29)25-33/h3-28H,1-2H3/i3D
InChIKeyVZZQNSUPCBXYLT-WFVSFCRTSA-N
MW589.76 g/mol
LogP13.17
Rot. Bonds4

About 1-[10-[3-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-7-propan-2-yldibenzofuran

1-[10-[3-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-7-propan-2-yldibenzofuran (PubChem CID 171449473) has the molecular formula C45H32O and a molecular weight of 589.76 g/mol. Its IUPAC name is 1-[10-[3-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-7-propan-2-yldibenzofuran.

Molecular Properties

Compound Name1-[10-[3-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-7-propan-2-yldibenzofuran
PubChem CID171449473
Molecular FormulaC45H32O
Molecular Weight589.76 g/mol
Exact Mass589.25
IUPAC Name1-[10-[3-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-7-propan-2-yldibenzofuran
SMILES[2H]c1ccc2cc(-c3cccc(-c4c5ccccc5c(-c5cccc6oc7cc(C(C)C)ccc7c56)c5ccccc45)c3)ccc2c1
InChIInChI=1S/C45H32O/c1-28(2)30-23-24-39-42(27-30)46-41-20-10-19-40(45(39)41)44-37-17-7-5-15-35(37)43(36-16-6-8-18-38(36)44)34-14-9-13-32(26-34)33-22-21-29-11-3-4-12-31(29)25-33/h3-28H,1-2H3/i3D
InChIKeyVZZQNSUPCBXYLT-WFVSFCRTSA-N
XLogP13.17
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.76
LogP ≤ 513.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-[10-[3-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-7-propan-2-yldibenzofuran 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

1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 170653754
1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]-7-methyldibenzofuran
CID 171449387
7-deuterio-1-[10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 171449377
1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 153436512
7-naphthalen-2-yl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167407269
1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448220
1-[1,2,3,4,5,6,7,8-octadeuterio-10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 153436635
1-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;1-[1,2,3,4,5,6,7,8-octadeuterio-10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 167615058
1-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-6-methyldibenzofuran
CID 171449643
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 176862831
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916
4-(10-naphthalen-2-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167187041

Frequently Asked Questions

What is the IUPAC name of 1-[10-[3-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-7-propan-2-yldibenzofuran?
The IUPAC name of 1-[10-[3-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-7-propan-2-yldibenzofuran (CID 171449473) is 1-[10-[3-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-7-propan-2-yldibenzofuran.
What is the SMILES notation for 1-[10-[3-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-7-propan-2-yldibenzofuran?
The canonical SMILES for 1-[10-[3-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-7-propan-2-yldibenzofuran is [2H]c1ccc2cc(-c3cccc(-c4c5ccccc5c(-c5cccc6oc7cc(C(C)C)ccc7c56)c5ccccc45)c3)ccc2c1.
What is the InChIKey of 1-[10-[3-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-7-propan-2-yldibenzofuran?
The InChIKey is VZZQNSUPCBXYLT-WFVSFCRTSA-N. The full InChI is InChI=1S/C45H32O/c1-28(2)30-23-24-39-42(27-30)46-41-20-10-19-40(45(39)41)44-37-17-7-5-15-35(37)43(36-16-6-8-18-38(36)44)34-14-9-13-32(26-34)33-22-21-29-11-3-4-12-31(29)25-33/h3-28H,1-2H3/i3D.
What are the key properties of 1-[10-[3-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-7-propan-2-yldibenzofuran?
1-[10-[3-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-7-propan-2-yldibenzofuran has a molecular weight of 589.76 g/mol, XLogP of 13.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-[3-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-7-propan-2-yldibenzofuran is sourced from PubChem (CID 171449473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).