2-tert-butyl-5,19-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene

C144H126O5S2 — CID 160942218

IUPAC2-tert-butyl-5,19-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene
SMILESCC(C)(C)c1c(-c2ccccc2)ccc2c1oc1ccccc12.CC(C)(C)c1c(-c2ccccc2)ccc2c1sc1ccccc12.CC(C)(C)c1c(-c2ccccc2)ccc2oc3ccccc3c12.CC(C)(C)c1c(-c2ccccc2)ccc2sc3ccccc3c12.CC(C)(C)c1c2c(cc3oc4cccc(-c5ccccc5)c4c13)oc1cccc(-c3ccccc3)c12.[2H]c1c([2H])c([2H])c(-c2ccc3c(oc4ccccc43)c2C(C)(C)C)c([2H])c1[2H]
InChIInChI=1S/C34H26O2.3C22H20O.2C22H20S/c1-34(2,3)33-31-27(35-25-18-10-16-23(29(25)31)21-12-6-4-7-13-21)20-28-32(33)30-24(17-11-19-26(30)36-28)22-14-8-5-9-15-22;2*1-22(2,3)20-16(15-9-5-4-6-10-15)13-14-18-17-11-7-8-12-19(17)23-21(18)20;1-22(2,3)21-16(15-9-5-4-6-10-15)13-14-19-20(21)17-11-7-8-12-18(17)23-19;1-22(2,3)20-16(15-9-5-4-6-10-15)13-14-18-17-11-7-8-12-19(17)23-21(18)20;1-22(2,3)21-16(15-9-5-4-6-10-15)13-14-19-20(21)17-11-7-8-12-18(17)23-19/h4-20H,1-3H3;5*4-14H,1-3H3/i;4D,5D,6D,9D,10D;;;;
InChIKeySUQOFVFLXSLRLB-AKFCRTNWSA-N
MW2005.75 g/mol
LogP43.81
Rot. Bonds7

About 2-tert-butyl-5,19-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene

2-tert-butyl-5,19-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene (PubChem CID 160942218) has the molecular formula C144H126O5S2 and a molecular weight of 2005.75 g/mol. Its IUPAC name is 2-tert-butyl-5,19-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene.

Molecular Properties

Compound Name2-tert-butyl-5,19-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene
PubChem CID160942218
Molecular FormulaC144H126O5S2
Molecular Weight2005.75 g/mol
Exact Mass2003.94
IUPAC Name2-tert-butyl-5,19-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene
SMILESCC(C)(C)c1c(-c2ccccc2)ccc2c1oc1ccccc12.CC(C)(C)c1c(-c2ccccc2)ccc2c1sc1ccccc12.CC(C)(C)c1c(-c2ccccc2)ccc2oc3ccccc3c12.CC(C)(C)c1c(-c2ccccc2)ccc2sc3ccccc3c12.CC(C)(C)c1c2c(cc3oc4cccc(-c5ccccc5)c4c13)oc1cccc(-c3ccccc3)c12.[2H]c1c([2H])c([2H])c(-c2ccc3c(oc4ccccc43)c2C(C)(C)C)c([2H])c1[2H]
InChIInChI=1S/C34H26O2.3C22H20O.2C22H20S/c1-34(2,3)33-31-27(35-25-18-10-16-23(29(25)31)21-12-6-4-7-13-21)20-28-32(33)30-24(17-11-19-26(30)36-28)22-14-8-5-9-15-22;2*1-22(2,3)20-16(15-9-5-4-6-10-15)13-14-18-17-11-7-8-12-19(17)23-21(18)20;1-22(2,3)21-16(15-9-5-4-6-10-15)13-14-19-20(21)17-11-7-8-12-18(17)23-19;1-22(2,3)20-16(15-9-5-4-6-10-15)13-14-18-17-11-7-8-12-19(17)23-21(18)20;1-22(2,3)21-16(15-9-5-4-6-10-15)13-14-19-20(21)17-11-7-8-12-18(17)23-19/h4-20H,1-3H3;5*4-14H,1-3H3/i;4D,5D,6D,9D,10D;;;;
InChIKeySUQOFVFLXSLRLB-AKFCRTNWSA-N
XLogP43.81
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms151
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002005.75
LogP ≤ 543.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-tert-butyl-5,19-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene 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-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene;1-tert-butyl-2-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzofuran;4-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)dibenzothiophene
CID 158935638
4-[1-[3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzothiophen-2-yl]dibenzofuran
CID 162423645
1-tert-butyl-2-(3,5-ditert-butylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 153490524
2,8-bis(4-dibenzofuran-1-ylphenyl)dibenzofuran;1,9-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene;1-(4-dibenzofuran-3-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)dibenzofuran
CID 165009748
N-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-amine
CID 169315792
1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzofuran;1-(2-tert-butylphenyl)dibenzothiophene;4-(2-tert-butylphenyl)dibenzothiophene;1-(2-tert-butyl-3-phenylphenyl)dibenzothiophene;4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene;1-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]dibenzothiophene;4-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]dibenzothiophene
CID 165089400
4-(2-tert-butyl-3-dibenzothiophen-4-ylphenyl)dibenzofuran;1-[2-tert-butyl-3-(9H-fluoren-4-yl)phenyl]dibenzothiophene;1-(2-tert-butylphenyl)dibenzothiophene;4-(2-tert-butylphenyl)dibenzothiophene;4-(2-tert-butyl-3-phenylphenyl)dibenzothiophene;1-(2,3-ditert-butylphenyl)dibenzothiophene;4-(2,3-ditert-butylphenyl)dibenzothiophene
CID 162086898
2-(7-dibenzofuran-4-yldibenzothiophen-2-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazine
CID 169059342
1-tert-butyl-2-(6-tert-butyldibenzothiophen-3-yl)dibenzothiophene
CID 138708079
1-tert-butyl-2-(6-tert-butyldibenzofuran-3-yl)dibenzofuran
CID 138707220
1-tert-butyl-9-(3,5-ditert-butylphenyl)dibenzothiophene;1-(2-tert-butylphenyl)dibenzofuran;4-(2-tert-butylphenyl)dibenzofuran;1-(2-tert-butyl-3-phenylphenyl)dibenzofuran;4-(2-tert-butyl-3-phenylphenyl)dibenzofuran
CID 165087419
tert-butylbenzene;1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;1-tert-butyldibenzothiophene;2-tert-butyldibenzothiophene;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;1-tert-butyl-2-phenylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene
CID 159707731

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,19-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene?
The IUPAC name of 2-tert-butyl-5,19-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene (CID 160942218) is 2-tert-butyl-5,19-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene.
What is the SMILES notation for 2-tert-butyl-5,19-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene?
The canonical SMILES for 2-tert-butyl-5,19-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene is CC(C)(C)c1c(-c2ccccc2)ccc2c1oc1ccccc12.CC(C)(C)c1c(-c2ccccc2)ccc2c1sc1ccccc12.CC(C)(C)c1c(-c2ccccc2)ccc2oc3ccccc3c12.CC(C)(C)c1c(-c2ccccc2)ccc2sc3ccccc3c12.CC(C)(C)c1c2c(cc3oc4cccc(-c5ccccc5)c4c13)oc1cccc(-c3ccccc3)c12.[2H]c1c([2H])c([2H])c(-c2ccc3c(oc4ccccc43)c2C(C)(C)C)c([2H])c1[2H].
What is the InChIKey of 2-tert-butyl-5,19-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene?
The InChIKey is SUQOFVFLXSLRLB-AKFCRTNWSA-N. The full InChI is InChI=1S/C34H26O2.3C22H20O.2C22H20S/c1-34(2,3)33-31-27(35-25-18-10-16-23(29(25)31)21-12-6-4-7-13-21)20-28-32(33)30-24(17-11-19-26(30)36-28)22-14-8-5-9-15-22;2*1-22(2,3)20-16(15-9-5-4-6-10-15)13-14-18-17-11-7-8-12-19(17)23-21(18)20;1-22(2,3)21-16(15-9-5-4-6-10-15)13-14-19-20(21)17-11-7-8-12-18(17)23-19;1-22(2,3)20-16(15-9-5-4-6-10-15)13-14-18-17-11-7-8-12-19(17)23-21(18)20;1-22(2,3)21-16(15-9-5-4-6-10-15)13-14-19-20(21)17-11-7-8-12-18(17)23-19/h4-20H,1-3H3;5*4-14H,1-3H3/i;4D,5D,6D,9D,10D;;;;.
What are the key properties of 2-tert-butyl-5,19-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene?
2-tert-butyl-5,19-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene has a molecular weight of 2005.75 g/mol, XLogP of 43.81, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,19-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene;4-tert-butyl-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran;1-tert-butyl-2-phenyldibenzofuran;4-tert-butyl-3-phenyldibenzofuran;1-tert-butyl-2-phenyldibenzothiophene;4-tert-butyl-3-phenyldibenzothiophene is sourced from PubChem (CID 160942218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).