4-[10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]-2,3-dihydrodibenzofuran

C48H32O — CID 135208765

IUPAC4-[10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]-2,3-dihydrodibenzofuran
SMILESC1=c2c(oc3ccccc23)=C(c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccccc5)cc4)c4ccccc34)c3ccccc23)CC1
InChIInChI=1S/C48H32O/c1-2-13-31(14-3-1)32-25-27-33(28-26-32)34-29-30-42(36-16-5-4-15-35(34)36)46-38-18-6-8-20-40(38)47(41-21-9-7-19-39(41)46)44-23-12-22-43-37-17-10-11-24-45(37)49-48(43)44/h1-11,13-22,24-30H,12,23H2
InChIKeyCKWNNZYQZUIUIW-UHFFFAOYSA-N
MW624.78 g/mol
LogP11.67
Rot. Bonds4

About 4-[10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]-2,3-dihydrodibenzofuran

4-[10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]-2,3-dihydrodibenzofuran (PubChem CID 135208765) has the molecular formula C48H32O and a molecular weight of 624.78 g/mol. Its IUPAC name is 4-[10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]-2,3-dihydrodibenzofuran.

Molecular Properties

Compound Name4-[10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]-2,3-dihydrodibenzofuran
PubChem CID135208765
Molecular FormulaC48H32O
Molecular Weight624.78 g/mol
Exact Mass624.25
IUPAC Name4-[10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]-2,3-dihydrodibenzofuran
SMILESC1=c2c(oc3ccccc23)=C(c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccccc5)cc4)c4ccccc34)c3ccccc23)CC1
InChIInChI=1S/C48H32O/c1-2-13-31(14-3-1)32-25-27-33(28-26-32)34-29-30-42(36-16-5-4-15-35(34)36)46-38-18-6-8-20-40(38)47(41-21-9-7-19-39(41)46)44-23-12-22-43-37-17-10-11-24-45(37)49-48(43)44/h1-11,13-22,24-30H,12,23H2
InChIKeyCKWNNZYQZUIUIW-UHFFFAOYSA-N
XLogP11.67
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.78
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 166876385
6-[3-[5-[3-(2,3-dihydrodibenzofuran-4-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129075813
8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 174167530
2-[2-(2,3-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 170127848
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 118671052
6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415794
6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122415742
4-[3-(9,10-dihydrotriphenylen-2-yl)phenyl]-2,3-dihydrodibenzofuran
CID 163514746
2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050596
2-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 153436479
2-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran
CID 139397243

Frequently Asked Questions

What is the IUPAC name of 4-[10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]-2,3-dihydrodibenzofuran?
The IUPAC name of 4-[10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]-2,3-dihydrodibenzofuran (CID 135208765) is 4-[10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]-2,3-dihydrodibenzofuran.
What is the SMILES notation for 4-[10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]-2,3-dihydrodibenzofuran?
The canonical SMILES for 4-[10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]-2,3-dihydrodibenzofuran is C1=c2c(oc3ccccc23)=C(c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccccc5)cc4)c4ccccc34)c3ccccc23)CC1.
What is the InChIKey of 4-[10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]-2,3-dihydrodibenzofuran?
The InChIKey is CKWNNZYQZUIUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32O/c1-2-13-31(14-3-1)32-25-27-33(28-26-32)34-29-30-42(36-16-5-4-15-35(34)36)46-38-18-6-8-20-40(38)47(41-21-9-7-19-39(41)46)44-23-12-22-43-37-17-10-11-24-45(37)49-48(43)44/h1-11,13-22,24-30H,12,23H2.
What are the key properties of 4-[10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]-2,3-dihydrodibenzofuran?
4-[10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]-2,3-dihydrodibenzofuran has a molecular weight of 624.78 g/mol, XLogP of 11.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]-2,3-dihydrodibenzofuran is sourced from PubChem (CID 135208765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).