10-tert-butyl-5-(11-tert-butylnaphtho[2,1-b][1]benzofuran-9-yl)naphtho[2,1-b][1]benzofuran

C40H34O2 — CID 167088777

IUPAC10-tert-butyl-5-(11-tert-butylnaphtho[2,1-b][1]benzofuran-9-yl)naphtho[2,1-b][1]benzofuran
SMILESCC(C)(C)c1ccc2oc3cc(-c4cc(C(C)(C)C)c5c(c4)oc4ccc6ccccc6c45)c4ccccc4c3c2c1
InChIInChI=1S/C40H34O2/c1-39(2,3)25-16-18-32-30(21-25)36-28-14-10-9-13-27(28)29(22-35(36)41-32)24-19-31(40(4,5)6)38-34(20-24)42-33-17-15-23-11-7-8-12-26(23)37(33)38/h7-22H,1-6H3
InChIKeyMISGJBRFRLHPJA-UHFFFAOYSA-N
MW546.71 g/mol
LogP12.05
Rot. Bonds1

About 10-tert-butyl-5-(11-tert-butylnaphtho[2,1-b][1]benzofuran-9-yl)naphtho[2,1-b][1]benzofuran

10-tert-butyl-5-(11-tert-butylnaphtho[2,1-b][1]benzofuran-9-yl)naphtho[2,1-b][1]benzofuran (PubChem CID 167088777) has the molecular formula C40H34O2 and a molecular weight of 546.71 g/mol. Its IUPAC name is 10-tert-butyl-5-(11-tert-butylnaphtho[2,1-b][1]benzofuran-9-yl)naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name10-tert-butyl-5-(11-tert-butylnaphtho[2,1-b][1]benzofuran-9-yl)naphtho[2,1-b][1]benzofuran
PubChem CID167088777
Molecular FormulaC40H34O2
Molecular Weight546.71 g/mol
Exact Mass546.26
IUPAC Name10-tert-butyl-5-(11-tert-butylnaphtho[2,1-b][1]benzofuran-9-yl)naphtho[2,1-b][1]benzofuran
SMILESCC(C)(C)c1ccc2oc3cc(-c4cc(C(C)(C)C)c5c(c4)oc4ccc6ccccc6c45)c4ccccc4c3c2c1
InChIInChI=1S/C40H34O2/c1-39(2,3)25-16-18-32-30(21-25)36-28-14-10-9-13-27(28)29(22-35(36)41-32)24-19-31(40(4,5)6)38-34(20-24)42-33-17-15-23-11-7-8-12-26(23)37(33)38/h7-22H,1-6H3
InChIKeyMISGJBRFRLHPJA-UHFFFAOYSA-N
XLogP12.05
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-(7-tert-butylpyren-2-yl)naphtho[2,1-b][1]benzofuran
CID 139341198
5-tert-butylchrysene
CID 140946805
5-[8-tert-butyl-1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran
CID 167306878
14,31-bis(naphtho[2,1-b][1]benzofuran-9-yl)-12,17,29,34-tetraoxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene
CID 134556960
9-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 134487932
2,8-ditert-butyldibenzofuran
CID 14914466
11-methyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene
CID 164966033
5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 134487561
9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130188657
2-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166025645
2-(5-tert-butyl-2-methylphenyl)-1-methylbenzo[e][1]benzofuran
CID 144609178
5-benzo[c]phenanthren-5-ylbenzo[c]phenanthrene;5-(10-benzo[c]phenanthren-5-yl-2,6-ditert-butylanthracen-9-yl)benzo[c]phenanthrene;5-(4-benzo[c]phenanthren-5-ylphenyl)benzo[c]phenanthrene
CID 158647799

Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-5-(11-tert-butylnaphtho[2,1-b][1]benzofuran-9-yl)naphtho[2,1-b][1]benzofuran?
The IUPAC name of 10-tert-butyl-5-(11-tert-butylnaphtho[2,1-b][1]benzofuran-9-yl)naphtho[2,1-b][1]benzofuran (CID 167088777) is 10-tert-butyl-5-(11-tert-butylnaphtho[2,1-b][1]benzofuran-9-yl)naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 10-tert-butyl-5-(11-tert-butylnaphtho[2,1-b][1]benzofuran-9-yl)naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 10-tert-butyl-5-(11-tert-butylnaphtho[2,1-b][1]benzofuran-9-yl)naphtho[2,1-b][1]benzofuran is CC(C)(C)c1ccc2oc3cc(-c4cc(C(C)(C)C)c5c(c4)oc4ccc6ccccc6c45)c4ccccc4c3c2c1.
What is the InChIKey of 10-tert-butyl-5-(11-tert-butylnaphtho[2,1-b][1]benzofuran-9-yl)naphtho[2,1-b][1]benzofuran?
The InChIKey is MISGJBRFRLHPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34O2/c1-39(2,3)25-16-18-32-30(21-25)36-28-14-10-9-13-27(28)29(22-35(36)41-32)24-19-31(40(4,5)6)38-34(20-24)42-33-17-15-23-11-7-8-12-26(23)37(33)38/h7-22H,1-6H3.
What are the key properties of 10-tert-butyl-5-(11-tert-butylnaphtho[2,1-b][1]benzofuran-9-yl)naphtho[2,1-b][1]benzofuran?
10-tert-butyl-5-(11-tert-butylnaphtho[2,1-b][1]benzofuran-9-yl)naphtho[2,1-b][1]benzofuran has a molecular weight of 546.71 g/mol, XLogP of 12.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butyl-5-(11-tert-butylnaphtho[2,1-b][1]benzofuran-9-yl)naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 167088777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).