4b,9b-bis(2,3,4,5,6-pentamethylphenyl)-[1]benzofuro[3,2-b][1]benzofuran

C36H38O2 — CID 91512764

IUPAC4b,9b-bis(2,3,4,5,6-pentamethylphenyl)-[1]benzofuro[3,2-b][1]benzofuran
SMILESCc1c(C)c(C)c(C23Oc4ccccc4C2(c2c(C)c(C)c(C)c(C)c2C)Oc2ccccc23)c(C)c1C
InChIInChI=1S/C36H38O2/c1-19-21(3)25(7)33(26(8)22(19)4)35-29-15-11-13-17-31(29)38-36(35,30-16-12-14-18-32(30)37-35)34-27(9)23(5)20(2)24(6)28(34)10/h11-18H,1-10H3
InChIKeyQDEGNORUCBKPFY-UHFFFAOYSA-N
MW502.70 g/mol
LogP8.74
Rot. Bonds2

About 4b,9b-bis(2,3,4,5,6-pentamethylphenyl)-[1]benzofuro[3,2-b][1]benzofuran

4b,9b-bis(2,3,4,5,6-pentamethylphenyl)-[1]benzofuro[3,2-b][1]benzofuran (PubChem CID 91512764) has the molecular formula C36H38O2 and a molecular weight of 502.70 g/mol. Its IUPAC name is 4b,9b-bis(2,3,4,5,6-pentamethylphenyl)-[1]benzofuro[3,2-b][1]benzofuran.

Molecular Properties

Compound Name4b,9b-bis(2,3,4,5,6-pentamethylphenyl)-[1]benzofuro[3,2-b][1]benzofuran
PubChem CID91512764
Molecular FormulaC36H38O2
Molecular Weight502.70 g/mol
Exact Mass502.29
IUPAC Name4b,9b-bis(2,3,4,5,6-pentamethylphenyl)-[1]benzofuro[3,2-b][1]benzofuran
SMILESCc1c(C)c(C)c(C23Oc4ccccc4C2(c2c(C)c(C)c(C)c(C)c2C)Oc2ccccc23)c(C)c1C
InChIInChI=1S/C36H38O2/c1-19-21(3)25(7)33(26(8)22(19)4)35-29-15-11-13-17-31(29)38-36(35,30-16-12-14-18-32(30)37-35)34-27(9)23(5)20(2)24(6)28(34)10/h11-18H,1-10H3
InChIKeyQDEGNORUCBKPFY-UHFFFAOYSA-N
XLogP8.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.70
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4b,9b-bis(2,3,4,5,6-pentamethylphenyl)-[1]benzofuro[3,2-b][1]benzofuran with MolForge

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Related Compounds

2,2,3,3-tetrachloro-1-benzofuran
CID 86126466
ethane;2,2,3,3-tetramethyl-1-benzofuran
CID 144945453
2,2'-spirobi[1,3-benzodioxole]
CID 10977219
4b,9b-dihydroxy-7,8,9-trimethylindeno[1,2-b][1]benzofuran-10-one
CID 71488537
2,3,3,4,4-pentamethyl-2-phenylchromene
CID 57198131
2,2-dimethyl-3'-[4-(trifluoromethyl)phenyl]spiro[1-benzofuran-3,2'-chromene]
CID 132991168
4-[(2S)-2,4,4-trimethyl-3H-chromen-2-yl]phenol
CID 1202572
9,9-bis(3-methylphenyl)xanthene
CID 23542272
2,2-diethyl-4,4-dimethyl-3H-chromene
CID 146403608
ethane;2,2,3,3,4,5,5-heptamethyl-1,4-benzoxazepine
CID 54278452
N,N,9-trimethylxanthen-9-amine
CID 68833214
(8R)-8-(2-hydroxyethyl)-7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-ol
CID 124639588

Frequently Asked Questions

What is the IUPAC name of 4b,9b-bis(2,3,4,5,6-pentamethylphenyl)-[1]benzofuro[3,2-b][1]benzofuran?
The IUPAC name of 4b,9b-bis(2,3,4,5,6-pentamethylphenyl)-[1]benzofuro[3,2-b][1]benzofuran (CID 91512764) is 4b,9b-bis(2,3,4,5,6-pentamethylphenyl)-[1]benzofuro[3,2-b][1]benzofuran.
What is the SMILES notation for 4b,9b-bis(2,3,4,5,6-pentamethylphenyl)-[1]benzofuro[3,2-b][1]benzofuran?
The canonical SMILES for 4b,9b-bis(2,3,4,5,6-pentamethylphenyl)-[1]benzofuro[3,2-b][1]benzofuran is Cc1c(C)c(C)c(C23Oc4ccccc4C2(c2c(C)c(C)c(C)c(C)c2C)Oc2ccccc23)c(C)c1C.
What is the InChIKey of 4b,9b-bis(2,3,4,5,6-pentamethylphenyl)-[1]benzofuro[3,2-b][1]benzofuran?
The InChIKey is QDEGNORUCBKPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38O2/c1-19-21(3)25(7)33(26(8)22(19)4)35-29-15-11-13-17-31(29)38-36(35,30-16-12-14-18-32(30)37-35)34-27(9)23(5)20(2)24(6)28(34)10/h11-18H,1-10H3.
What are the key properties of 4b,9b-bis(2,3,4,5,6-pentamethylphenyl)-[1]benzofuro[3,2-b][1]benzofuran?
4b,9b-bis(2,3,4,5,6-pentamethylphenyl)-[1]benzofuro[3,2-b][1]benzofuran has a molecular weight of 502.70 g/mol, XLogP of 8.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,9b-bis(2,3,4,5,6-pentamethylphenyl)-[1]benzofuro[3,2-b][1]benzofuran is sourced from PubChem (CID 91512764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).