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

C50H30O9 — CID 163959829

IUPAC9-naphtho[1,2-b][1]benzofuran-7-yl-10-(3-phenanthren-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol
SMILESOc1c(O)c(O)c2c(-c3cccc4oc5c6ccccc6ccc5c34)c3c(O)c(O)c(O)c(O)c3c(-c3cccc(-c4cccc5c4ccc4ccccc45)c3)c2c1O
InChIInChI=1S/C50H30O9/c51-42-38-35(26-11-5-10-25(22-26)28-14-6-15-30-27-12-3-1-8-23(27)18-20-31(28)30)39-41(45(54)49(58)47(56)43(39)52)37(40(38)44(53)48(57)46(42)55)32-16-7-17-34-36(32)33-21-19-24-9-2-4-13-29(24)50(33)59-34/h1-22,51-58H
InChIKeySGMQGIGNKAVSNV-UHFFFAOYSA-N
MW774.78 g/mol
LogP12.00
Rot. Bonds3

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

9-naphtho[1,2-b][1]benzofuran-7-yl-10-(3-phenanthren-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol (PubChem CID 163959829) has the molecular formula C50H30O9 and a molecular weight of 774.78 g/mol. Its IUPAC name is 9-naphtho[1,2-b][1]benzofuran-7-yl-10-(3-phenanthren-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol.

Molecular Properties

Compound Name9-naphtho[1,2-b][1]benzofuran-7-yl-10-(3-phenanthren-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol
PubChem CID163959829
Molecular FormulaC50H30O9
Molecular Weight774.78 g/mol
Exact Mass774.19
IUPAC Name9-naphtho[1,2-b][1]benzofuran-7-yl-10-(3-phenanthren-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol
SMILESOc1c(O)c(O)c2c(-c3cccc4oc5c6ccccc6ccc5c34)c3c(O)c(O)c(O)c(O)c3c(-c3cccc(-c4cccc5c4ccc4ccccc45)c3)c2c1O
InChIInChI=1S/C50H30O9/c51-42-38-35(26-11-5-10-25(22-26)28-14-6-15-30-27-12-3-1-8-23(27)18-20-31(28)30)39-41(45(54)49(58)47(56)43(39)52)37(40(38)44(53)48(57)46(42)55)32-16-7-17-34-36(32)33-21-19-24-9-2-4-13-29(24)50(33)59-34/h1-22,51-58H
InChIKeySGMQGIGNKAVSNV-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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-naphthalen-1-yl-10-(1-naphtho[1,2-b][1]benzofuran-7-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol
CID 163801049
7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran
CID 177072224
9-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 135208671
7-phenylnaphtho[1,2-b][1]benzofuran
CID 166938823
7-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)naphtho[1,2-b][1]benzofuran
CID 138664816
7-[3-[10-(4-deuterionaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
CID 170653451
9-(3-benzo[c]phenanthren-5-ylphenyl)-10-(3-naphthalen-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol
CID 163934105
7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran
CID 170249935
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-4-phenylaniline
CID 170272469
7-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 153473853
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 167331271
3-[3-[7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-7-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 167091815

Frequently Asked Questions

What is the IUPAC name of 9-naphtho[1,2-b][1]benzofuran-7-yl-10-(3-phenanthren-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol?
The IUPAC name of 9-naphtho[1,2-b][1]benzofuran-7-yl-10-(3-phenanthren-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol (CID 163959829) is 9-naphtho[1,2-b][1]benzofuran-7-yl-10-(3-phenanthren-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol.
What is the SMILES notation for 9-naphtho[1,2-b][1]benzofuran-7-yl-10-(3-phenanthren-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol?
The canonical SMILES for 9-naphtho[1,2-b][1]benzofuran-7-yl-10-(3-phenanthren-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol is Oc1c(O)c(O)c2c(-c3cccc4oc5c6ccccc6ccc5c34)c3c(O)c(O)c(O)c(O)c3c(-c3cccc(-c4cccc5c4ccc4ccccc45)c3)c2c1O.
What is the InChIKey of 9-naphtho[1,2-b][1]benzofuran-7-yl-10-(3-phenanthren-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol?
The InChIKey is SGMQGIGNKAVSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O9/c51-42-38-35(26-11-5-10-25(22-26)28-14-6-15-30-27-12-3-1-8-23(27)18-20-31(28)30)39-41(45(54)49(58)47(56)43(39)52)37(40(38)44(53)48(57)46(42)55)32-16-7-17-34-36(32)33-21-19-24-9-2-4-13-29(24)50(33)59-34/h1-22,51-58H.
What are the key properties of 9-naphtho[1,2-b][1]benzofuran-7-yl-10-(3-phenanthren-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol?
9-naphtho[1,2-b][1]benzofuran-7-yl-10-(3-phenanthren-1-ylphenyl)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-naphtho[1,2-b][1]benzofuran-7-yl-10-(3-phenanthren-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol is sourced from PubChem (CID 163959829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).