4,4,5,5-tetramethyl-2-[2-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-1,3,2-dioxazolidine

C34H29NO3 — CID 163643387

IUPAC4,4,5,5-tetramethyl-2-[2-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-1,3,2-dioxazolidine
SMILESCC1(C)ON(c2ccccc2-c2cccc(-c3ccc4oc5ccc6ccccc6c5c4c3)c2)OC1(C)C
InChIInChI=1S/C34H29NO3/c1-33(2)34(3,4)38-35(37-33)29-15-8-7-13-26(29)25-12-9-11-23(20-25)24-17-18-30-28(21-24)32-27-14-6-5-10-22(27)16-19-31(32)36-30/h5-21H,1-4H3
InChIKeyIGFALPQUPJTETL-UHFFFAOYSA-N
MW499.61 g/mol
LogP9.31
Rot. Bonds3

About 4,4,5,5-tetramethyl-2-[2-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-1,3,2-dioxazolidine

4,4,5,5-tetramethyl-2-[2-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-1,3,2-dioxazolidine (PubChem CID 163643387) has the molecular formula C34H29NO3 and a molecular weight of 499.61 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[2-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-1,3,2-dioxazolidine.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[2-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-1,3,2-dioxazolidine
PubChem CID163643387
Molecular FormulaC34H29NO3
Molecular Weight499.61 g/mol
Exact Mass499.21
IUPAC Name4,4,5,5-tetramethyl-2-[2-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-1,3,2-dioxazolidine
SMILESCC1(C)ON(c2ccccc2-c2cccc(-c3ccc4oc5ccc6ccccc6c5c4c3)c2)OC1(C)C
InChIInChI=1S/C34H29NO3/c1-33(2)34(3,4)38-35(37-33)29-15-8-7-13-26(29)25-12-9-11-23(20-25)24-17-18-30-28(21-24)32-27-14-6-5-10-22(27)16-19-31(32)36-30/h5-21H,1-4H3
InChIKeyIGFALPQUPJTETL-UHFFFAOYSA-N
XLogP9.31
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-1-yl)boronic acid
CID 164799821
10-[10-[3-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 121421240
10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 88568907
10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 163827411
10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 166587818
2,4-bis(9,9-dimethylfluoren-2-yl)-6-[3-[3-(6-naphtho[2,1-b][1]benzofuran-10-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine
CID 154613803
5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
CID 130190167
10-[1,2,3,4,5,6,7,8-octadeuterio-10-[3-(9,9-dimethylfluoren-1-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 153473683
10-[1,2,3,4,5,6,7,8-octadeuterio-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 153473807
10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 146652374
CID 174028643
CID 174028643
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphtho[2,1-b][1]benzofuran-10-yl-6-phenyl-1,3,5-triazine
CID 154613999

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[2-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-1,3,2-dioxazolidine?
The IUPAC name of 4,4,5,5-tetramethyl-2-[2-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-1,3,2-dioxazolidine (CID 163643387) is 4,4,5,5-tetramethyl-2-[2-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-1,3,2-dioxazolidine.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[2-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-1,3,2-dioxazolidine?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[2-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-1,3,2-dioxazolidine is CC1(C)ON(c2ccccc2-c2cccc(-c3ccc4oc5ccc6ccccc6c5c4c3)c2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[2-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-1,3,2-dioxazolidine?
The InChIKey is IGFALPQUPJTETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29NO3/c1-33(2)34(3,4)38-35(37-33)29-15-8-7-13-26(29)25-12-9-11-23(20-25)24-17-18-30-28(21-24)32-27-14-6-5-10-22(27)16-19-31(32)36-30/h5-21H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[2-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-1,3,2-dioxazolidine?
4,4,5,5-tetramethyl-2-[2-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-1,3,2-dioxazolidine has a molecular weight of 499.61 g/mol, XLogP of 9.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[2-(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-1,3,2-dioxazolidine is sourced from PubChem (CID 163643387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).