8-[4-(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-2-(3-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-ol

C54H34O4 — CID 143905056

IUPAC8-[4-(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-2-(3-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-ol
SMILESOC1=CC2Oc3ccc(-c4ccc(-c5ccc6oc7cc8oc9ccc(-c%10ccccc%10)cc9c8cc7c6c5)cc4)cc3C2C=C1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C54H34O4/c55-48-30-52-45(28-41(48)40-13-7-12-36(24-40)32-8-3-1-4-9-32)42-26-38(19-22-49(42)56-52)34-14-16-35(17-15-34)39-20-23-51-44(27-39)47-29-46-43-25-37(33-10-5-2-6-11-33)18-21-50(43)57-53(46)31-54(47)58-51/h1-31,45,52,55H
InChIKeyIGBUDAGZPFLNPB-UHFFFAOYSA-N
MW746.86 g/mol
LogP14.54
Rot. Bonds5

About 8-[4-(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-2-(3-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-ol

8-[4-(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-2-(3-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-ol (PubChem CID 143905056) has the molecular formula C54H34O4 and a molecular weight of 746.86 g/mol. Its IUPAC name is 8-[4-(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-2-(3-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-ol.

Molecular Properties

Compound Name8-[4-(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-2-(3-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-ol
PubChem CID143905056
Molecular FormulaC54H34O4
Molecular Weight746.86 g/mol
Exact Mass746.25
IUPAC Name8-[4-(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-2-(3-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-ol
SMILESOC1=CC2Oc3ccc(-c4ccc(-c5ccc6oc7cc8oc9ccc(-c%10ccccc%10)cc9c8cc7c6c5)cc4)cc3C2C=C1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C54H34O4/c55-48-30-52-45(28-41(48)40-13-7-12-36(24-40)32-8-3-1-4-9-32)42-26-38(19-22-49(42)56-52)34-14-16-35(17-15-34)39-20-23-51-44(27-39)47-29-46-43-25-37(33-10-5-2-6-11-33)18-21-50(43)57-53(46)31-54(47)58-51/h1-31,45,52,55H
InChIKeyIGBUDAGZPFLNPB-UHFFFAOYSA-N
XLogP14.54
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.86
LogP ≤ 514.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[4-(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-2-(3-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-ol 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

9,27-diphenyl-13,17,21,31-tetraoxanonacyclo[18.14.0.03,18.04,16.06,14.07,12.022,34.024,32.025,30]tetratriaconta-1(20),2,4(16),5,7(12),8,10,14,18,22,24(32),25(30),26,28,33-pentadecaene
CID 58004021
2-[8-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran-2-yl]-5a,11a-dihydronaphtho[2,3-b][1]benzofuran
CID 118503414
5-phenyl-18-[3-(16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)phenyl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 142487755
2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 146431776
2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118349959
6-[3-(10-phenylanthracen-9-yl)phenyl]-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 122415782
2-bromo-8-(3-phenylphenyl)dibenzofuran
CID 90250557
6-[3,5-bis(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene;(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)boronic acid;1,3,5-tribromobenzene
CID 160506198
2-phenyl-4-(4-phenylphenyl)-6-[3-[7-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 155773210
2-phenyl-4-[3-(8-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 155773208
2-phenyl-4-(8-phenyldibenzofuran-3-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155773119
2-phenyl-4-[8-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171597223

Frequently Asked Questions

What is the IUPAC name of 8-[4-(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-2-(3-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-ol?
The IUPAC name of 8-[4-(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-2-(3-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-ol (CID 143905056) is 8-[4-(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-2-(3-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-ol.
What is the SMILES notation for 8-[4-(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-2-(3-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-ol?
The canonical SMILES for 8-[4-(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-2-(3-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-ol is OC1=CC2Oc3ccc(-c4ccc(-c5ccc6oc7cc8oc9ccc(-c%10ccccc%10)cc9c8cc7c6c5)cc4)cc3C2C=C1c1cccc(-c2ccccc2)c1.
What is the InChIKey of 8-[4-(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-2-(3-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-ol?
The InChIKey is IGBUDAGZPFLNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34O4/c55-48-30-52-45(28-41(48)40-13-7-12-36(24-40)32-8-3-1-4-9-32)42-26-38(19-22-49(42)56-52)34-14-16-35(17-15-34)39-20-23-51-44(27-39)47-29-46-43-25-37(33-10-5-2-6-11-33)18-21-50(43)57-53(46)31-54(47)58-51/h1-31,45,52,55H.
What are the key properties of 8-[4-(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-2-(3-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-ol?
8-[4-(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-2-(3-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-ol has a molecular weight of 746.86 g/mol, XLogP of 14.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(18-phenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)phenyl]-2-(3-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-ol is sourced from PubChem (CID 143905056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).