ethane;1-methyl-2-(2-methylphenyl)naphtho[1,2-b][1]benzofuran

C28H30O — CID 144645370

IUPACethane;1-methyl-2-(2-methylphenyl)naphtho[1,2-b][1]benzofuran
SMILESCC.CC.Cc1ccccc1-c1ccc2ccc3c4ccccc4oc3c2c1C
InChIInChI=1S/C24H18O.2C2H6/c1-15-7-3-4-8-18(15)19-13-11-17-12-14-21-20-9-5-6-10-22(20)25-24(21)23(17)16(19)2;2*1-2/h3-14H,1-2H3;2*1-2H3
InChIKeyRRWGPQMJDFKNFW-UHFFFAOYSA-N
MW382.55 g/mol
LogP9.08
Rot. Bonds1

About ethane;1-methyl-2-(2-methylphenyl)naphtho[1,2-b][1]benzofuran

ethane;1-methyl-2-(2-methylphenyl)naphtho[1,2-b][1]benzofuran (PubChem CID 144645370) has the molecular formula C28H30O and a molecular weight of 382.55 g/mol. Its IUPAC name is ethane;1-methyl-2-(2-methylphenyl)naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Nameethane;1-methyl-2-(2-methylphenyl)naphtho[1,2-b][1]benzofuran
PubChem CID144645370
Molecular FormulaC28H30O
Molecular Weight382.55 g/mol
Exact Mass382.23
IUPAC Nameethane;1-methyl-2-(2-methylphenyl)naphtho[1,2-b][1]benzofuran
SMILESCC.CC.Cc1ccccc1-c1ccc2ccc3c4ccccc4oc3c2c1C
InChIInChI=1S/C24H18O.2C2H6/c1-15-7-3-4-8-18(15)19-13-11-17-12-14-21-20-9-5-6-10-22(20)25-24(21)23(17)16(19)2;2*1-2/h3-14H,1-2H3;2*1-2H3
InChIKeyRRWGPQMJDFKNFW-UHFFFAOYSA-N
XLogP9.08
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(2-methylphenyl)naphtho[1,2-b][1]benzofuran
CID 166938715
16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene
CID 146383205
2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 146658795
23,23-dimethyl-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 118545802
16,25-dimethyl-17,24-bis(2-methylphenyl)-5,36-dioxanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15(20),16,18,21(26),22,24,28,30,32,34,37-octadecaene
CID 146383193
1-N,1-N,6-N,6-N-tetrakis(3-methyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 153297565
4-oxahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene
CID 118564981
1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran
CID 153447877
1-dibenzofuran-4-yl-4-(1-methyldibenzofuran-4-yl)dibenzofuran
CID 153447937
3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaene
CID 90219451
4-[4-[6-(4-phenylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273601
6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane
CID 144918751

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-(2-methylphenyl)naphtho[1,2-b][1]benzofuran?
The IUPAC name of ethane;1-methyl-2-(2-methylphenyl)naphtho[1,2-b][1]benzofuran (CID 144645370) is ethane;1-methyl-2-(2-methylphenyl)naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for ethane;1-methyl-2-(2-methylphenyl)naphtho[1,2-b][1]benzofuran?
The canonical SMILES for ethane;1-methyl-2-(2-methylphenyl)naphtho[1,2-b][1]benzofuran is CC.CC.Cc1ccccc1-c1ccc2ccc3c4ccccc4oc3c2c1C.
What is the InChIKey of ethane;1-methyl-2-(2-methylphenyl)naphtho[1,2-b][1]benzofuran?
The InChIKey is RRWGPQMJDFKNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O.2C2H6/c1-15-7-3-4-8-18(15)19-13-11-17-12-14-21-20-9-5-6-10-22(20)25-24(21)23(17)16(19)2;2*1-2/h3-14H,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methyl-2-(2-methylphenyl)naphtho[1,2-b][1]benzofuran?
ethane;1-methyl-2-(2-methylphenyl)naphtho[1,2-b][1]benzofuran has a molecular weight of 382.55 g/mol, XLogP of 9.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-(2-methylphenyl)naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 144645370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).