10-(7-tert-butylpyren-2-yl)naphtho[2,1-b][1]benzofuran

C36H26O — CID 139341198

IUPAC10-(7-tert-butylpyren-2-yl)naphtho[2,1-b][1]benzofuran
SMILESCC(C)(C)c1cc2ccc3cc(-c4ccc5oc6ccc7ccccc7c6c5c4)cc4ccc(c1)c2c34
InChIInChI=1S/C36H26O/c1-36(2,3)28-18-25-10-8-23-16-27(17-24-9-11-26(19-28)34(25)33(23)24)22-13-14-31-30(20-22)35-29-7-5-4-6-21(29)12-15-32(35)37-31/h4-20H,1-3H3
InChIKeyNTIXLMSLKWUVTC-UHFFFAOYSA-N
MW474.60 g/mol
LogP10.60
Rot. Bonds1

About 10-(7-tert-butylpyren-2-yl)naphtho[2,1-b][1]benzofuran

10-(7-tert-butylpyren-2-yl)naphtho[2,1-b][1]benzofuran (PubChem CID 139341198) has the molecular formula C36H26O and a molecular weight of 474.60 g/mol. Its IUPAC name is 10-(7-tert-butylpyren-2-yl)naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name10-(7-tert-butylpyren-2-yl)naphtho[2,1-b][1]benzofuran
PubChem CID139341198
Molecular FormulaC36H26O
Molecular Weight474.60 g/mol
Exact Mass474.20
IUPAC Name10-(7-tert-butylpyren-2-yl)naphtho[2,1-b][1]benzofuran
SMILESCC(C)(C)c1cc2ccc3cc(-c4ccc5oc6ccc7ccccc7c6c5c4)cc4ccc(c1)c2c34
InChIInChI=1S/C36H26O/c1-36(2,3)28-18-25-10-8-23-16-27(17-24-9-11-26(19-28)34(25)33(23)24)22-13-14-31-30(20-22)35-29-7-5-4-6-21(29)12-15-32(35)37-31/h4-20H,1-3H3
InChIKeyNTIXLMSLKWUVTC-UHFFFAOYSA-N
XLogP10.60
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(7-tert-butylpyren-1-yl)-8-(8-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556266
10-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 154595990
10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 88568907
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-4-phenylaniline
CID 170031307
8-pyren-2-ylnaphtho[1,2-b][1]benzofuran
CID 139341199
4-naphtho[2,1-b][1]benzofuran-10-ylbenzonitrile
CID 70847283
21-(6-phenylnaphthalen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaene
CID 149209334
3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile
CID 70847284
6-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 139469551
2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran
CID 129100719
2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-8-phenanthren-9-yldibenzofuran
CID 58569484
10-tert-butyl-5-(11-tert-butylnaphtho[2,1-b][1]benzofuran-9-yl)naphtho[2,1-b][1]benzofuran
CID 167088777

Frequently Asked Questions

What is the IUPAC name of 10-(7-tert-butylpyren-2-yl)naphtho[2,1-b][1]benzofuran?
The IUPAC name of 10-(7-tert-butylpyren-2-yl)naphtho[2,1-b][1]benzofuran (CID 139341198) is 10-(7-tert-butylpyren-2-yl)naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 10-(7-tert-butylpyren-2-yl)naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 10-(7-tert-butylpyren-2-yl)naphtho[2,1-b][1]benzofuran is CC(C)(C)c1cc2ccc3cc(-c4ccc5oc6ccc7ccccc7c6c5c4)cc4ccc(c1)c2c34.
What is the InChIKey of 10-(7-tert-butylpyren-2-yl)naphtho[2,1-b][1]benzofuran?
The InChIKey is NTIXLMSLKWUVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26O/c1-36(2,3)28-18-25-10-8-23-16-27(17-24-9-11-26(19-28)34(25)33(23)24)22-13-14-31-30(20-22)35-29-7-5-4-6-21(29)12-15-32(35)37-31/h4-20H,1-3H3.
What are the key properties of 10-(7-tert-butylpyren-2-yl)naphtho[2,1-b][1]benzofuran?
10-(7-tert-butylpyren-2-yl)naphtho[2,1-b][1]benzofuran has a molecular weight of 474.60 g/mol, XLogP of 10.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(7-tert-butylpyren-2-yl)naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 139341198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).