ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran

C34H26O2 — CID 142369862

IUPACethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran
SMILESCC.c1ccc2c(c1)ccc1oc3ccccc3c12.c1ccc2cc3c(cc2c1)oc1ccccc13
InChIInChI=1S/2C16H10O.C2H6/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16;1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15;1-2/h2*1-10H;1-2H3
InChIKeyAAJFHPSROZPFKL-UHFFFAOYSA-N
MW466.58 g/mol
LogP10.50
Rot. Bonds

About ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran

ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran (PubChem CID 142369862) has the molecular formula C34H26O2 and a molecular weight of 466.58 g/mol. Its IUPAC name is ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Nameethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran
PubChem CID142369862
Molecular FormulaC34H26O2
Molecular Weight466.58 g/mol
Exact Mass466.19
IUPAC Nameethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran
SMILESCC.c1ccc2c(c1)ccc1oc3ccccc3c12.c1ccc2cc3c(cc2c1)oc1ccccc13
InChIInChI=1S/2C16H10O.C2H6/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16;1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15;1-2/h2*1-10H;1-2H3
InChIKeyAAJFHPSROZPFKL-UHFFFAOYSA-N
XLogP10.50
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 126718289
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
anthra[2,1-b][1]benzofuran
CID 59403890
22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 178088617
13-oxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene-2-thione
CID 12588753
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616741
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
6-(10-naphthalen-2-ylanthracen-9-yl)-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene
CID 130212342
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazine
CID 158181891
N-naphtho[2,1-b][1]benzofuran-3-yl-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616843
7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 146666105
8-bromonaphtho[2,3-b][1]benzofuran
CID 154948063

Frequently Asked Questions

What is the IUPAC name of ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran?
The IUPAC name of ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran (CID 142369862) is ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran?
The canonical SMILES for ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran is CC.c1ccc2c(c1)ccc1oc3ccccc3c12.c1ccc2cc3c(cc2c1)oc1ccccc13.
What is the InChIKey of ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran?
The InChIKey is AAJFHPSROZPFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H10O.C2H6/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16;1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15;1-2/h2*1-10H;1-2H3.
What are the key properties of ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran?
ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran has a molecular weight of 466.58 g/mol, XLogP of 10.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 142369862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).