3,5,6-trimethyl-2-[4-[4-(3,5,6-trimethyl-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran

C34H30O2 — CID 59005297

IUPAC3,5,6-trimethyl-2-[4-[4-(3,5,6-trimethyl-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran
SMILESCc1cc2oc(-c3ccc(-c4ccc(-c5oc6cc(C)c(C)cc6c5C)cc4)cc3)c(C)c2cc1C
InChIInChI=1S/C34H30O2/c1-19-15-29-23(5)33(35-31(29)17-21(19)3)27-11-7-25(8-12-27)26-9-13-28(14-10-26)34-24(6)30-16-20(2)22(4)18-32(30)36-34/h7-18H,1-6H3
InChIKeyTUFSKPZAJIOUNV-UHFFFAOYSA-N
MW470.61 g/mol
LogP10.03
Rot. Bonds3

About 3,5,6-trimethyl-2-[4-[4-(3,5,6-trimethyl-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran

3,5,6-trimethyl-2-[4-[4-(3,5,6-trimethyl-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran (PubChem CID 59005297) has the molecular formula C34H30O2 and a molecular weight of 470.61 g/mol. Its IUPAC name is 3,5,6-trimethyl-2-[4-[4-(3,5,6-trimethyl-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran.

Molecular Properties

Compound Name3,5,6-trimethyl-2-[4-[4-(3,5,6-trimethyl-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran
PubChem CID59005297
Molecular FormulaC34H30O2
Molecular Weight470.61 g/mol
Exact Mass470.22
IUPAC Name3,5,6-trimethyl-2-[4-[4-(3,5,6-trimethyl-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran
SMILESCc1cc2oc(-c3ccc(-c4ccc(-c5oc6cc(C)c(C)cc6c5C)cc4)cc3)c(C)c2cc1C
InChIInChI=1S/C34H30O2/c1-19-15-29-23(5)33(35-31(29)17-21(19)3)27-11-7-25(8-12-27)26-9-13-28(14-10-26)34-24(6)30-16-20(2)22(4)18-32(30)36-34/h7-18H,1-6H3
InChIKeyTUFSKPZAJIOUNV-UHFFFAOYSA-N
XLogP10.03
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cra 13
CID 9799417
C.I. Vat Green 1
CID 31410
Benzo(b)naphtho(2,3-d)furan
CID 71072
Benzofurans
CID 253613
Dibenzofuran, 4-methyl-
CID 43489
4,7-Dimethylbenzofuran
CID 33109
4'-(2-Butyl-benzofuran-3-yl)-biphenyl-4-ol
CID 10854796
4H-Naphtho(2,3-b)pyran-4-one, 2-phenyl-
CID 623342
5-Methyl-2-phenyl-1-benzofuran
CID 1211950
(E)-1-(2-ethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one
CID 118732198
Benzo(b)naphtho(1,2-d)furan
CID 268932
2-Acetyldibenzofuran
CID 293028

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-2-[4-[4-(3,5,6-trimethyl-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran?
The IUPAC name of 3,5,6-trimethyl-2-[4-[4-(3,5,6-trimethyl-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran (CID 59005297) is 3,5,6-trimethyl-2-[4-[4-(3,5,6-trimethyl-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran.
What is the SMILES notation for 3,5,6-trimethyl-2-[4-[4-(3,5,6-trimethyl-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran?
The canonical SMILES for 3,5,6-trimethyl-2-[4-[4-(3,5,6-trimethyl-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran is Cc1cc2oc(-c3ccc(-c4ccc(-c5oc6cc(C)c(C)cc6c5C)cc4)cc3)c(C)c2cc1C.
What is the InChIKey of 3,5,6-trimethyl-2-[4-[4-(3,5,6-trimethyl-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran?
The InChIKey is TUFSKPZAJIOUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30O2/c1-19-15-29-23(5)33(35-31(29)17-21(19)3)27-11-7-25(8-12-27)26-9-13-28(14-10-26)34-24(6)30-16-20(2)22(4)18-32(30)36-34/h7-18H,1-6H3.
What are the key properties of 3,5,6-trimethyl-2-[4-[4-(3,5,6-trimethyl-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran?
3,5,6-trimethyl-2-[4-[4-(3,5,6-trimethyl-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran has a molecular weight of 470.61 g/mol, XLogP of 10.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-2-[4-[4-(3,5,6-trimethyl-1-benzofuran-2-yl)phenyl]phenyl]-1-benzofuran is sourced from PubChem (CID 59005297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).