9-naphthalen-2-yl-10-(7-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol

C50H30O9 — CID 163785389

IUPAC9-naphthalen-2-yl-10-(7-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol
SMILESOc1c(O)c(O)c2c(-c3ccc4ccc(-c5ccc6c(c5)oc5ccc7ccccc7c56)cc4c3)c3c(O)c(O)c(O)c(O)c3c(-c3ccc4ccccc4c3)c2c1O
InChIInChI=1S/C50H30O9/c51-43-39-36(29-13-10-23-5-1-2-7-26(23)19-29)40-42(46(54)50(58)48(56)44(40)52)37(41(39)45(53)49(57)47(43)55)30-14-11-24-9-12-27(20-31(24)21-30)28-15-17-33-35(22-28)59-34-18-16-25-6-3-4-8-32(25)38(33)34/h1-22,51-58H
InChIKeyMSCFAHHLCDQJNP-UHFFFAOYSA-N
MW774.78 g/mol
LogP12.00
Rot. Bonds3

About 9-naphthalen-2-yl-10-(7-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol

9-naphthalen-2-yl-10-(7-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol (PubChem CID 163785389) has the molecular formula C50H30O9 and a molecular weight of 774.78 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-(7-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol.

Molecular Properties

Compound Name9-naphthalen-2-yl-10-(7-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol
PubChem CID163785389
Molecular FormulaC50H30O9
Molecular Weight774.78 g/mol
Exact Mass774.19
IUPAC Name9-naphthalen-2-yl-10-(7-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol
SMILESOc1c(O)c(O)c2c(-c3ccc4ccc(-c5ccc6c(c5)oc5ccc7ccccc7c56)cc4c3)c3c(O)c(O)c(O)c(O)c3c(-c3ccc4ccccc4c3)c2c1O
InChIInChI=1S/C50H30O9/c51-43-39-36(29-13-10-23-5-1-2-7-26(23)19-29)40-42(46(54)50(58)48(56)44(40)52)37(41(39)45(53)49(57)47(43)55)30-14-11-24-9-12-27(20-31(24)21-30)28-15-17-33-35(22-28)59-34-18-16-25-6-3-4-8-32(25)38(33)34/h1-22,51-58H
InChIKeyMSCFAHHLCDQJNP-UHFFFAOYSA-N
XLogP12.00
TPSA174.98 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500774.78
LogP ≤ 512.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-naphtho[2,1-b][1]benzofuran-10-yl-10-(4-phenanthren-2-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol
CID 163441692
9-(7H-benzo[g]carbazol-9-yl)-10-naphtho[2,1-b][1]benzofuran-9-ylanthracene-1,2,3,4,5,6,7,8-octol
CID 163468306
9-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 134487809
9-naphtho[2,1-b][1]benzofuran-10-yl-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5-tetrahydroxy-6-triphenylen-2-ylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol
CID 174275556
19-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 130190197
CID 170723482
CID 170723482
19-(10-naphthalen-2-ylanthracen-9-yl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8,10,12,15(23),16(21),17,19,24-dodecaene
CID 153472141
9-dibenzofuran-2-yl-10-naphthalen-2-ylanthracene-1,2,3,4,5,6,7,8-octol;9-dibenzofuran-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol;9-dibenzofuran-2-yl-10-[2-(4-phenylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol
CID 167694750
9-naphthalen-1-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracene-1,2,3,4,5,6,7,8-octol
CID 160732184
3,7-bis(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)dibenzofuran
CID 58569636
9-[5-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 164831008
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

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-(7-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol?
The IUPAC name of 9-naphthalen-2-yl-10-(7-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol (CID 163785389) is 9-naphthalen-2-yl-10-(7-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol.
What is the SMILES notation for 9-naphthalen-2-yl-10-(7-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol?
The canonical SMILES for 9-naphthalen-2-yl-10-(7-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol is Oc1c(O)c(O)c2c(-c3ccc4ccc(-c5ccc6c(c5)oc5ccc7ccccc7c56)cc4c3)c3c(O)c(O)c(O)c(O)c3c(-c3ccc4ccccc4c3)c2c1O.
What is the InChIKey of 9-naphthalen-2-yl-10-(7-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol?
The InChIKey is MSCFAHHLCDQJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O9/c51-43-39-36(29-13-10-23-5-1-2-7-26(23)19-29)40-42(46(54)50(58)48(56)44(40)52)37(41(39)45(53)49(57)47(43)55)30-14-11-24-9-12-27(20-31(24)21-30)28-15-17-33-35(22-28)59-34-18-16-25-6-3-4-8-32(25)38(33)34/h1-22,51-58H.
What are the key properties of 9-naphthalen-2-yl-10-(7-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol?
9-naphthalen-2-yl-10-(7-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol has a molecular weight of 774.78 g/mol, XLogP of 12.00, 3 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-10-(7-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol is sourced from PubChem (CID 163785389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).