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

C50H30O10 — CID 163577288

IUPAC7-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol
SMILESOc1c(O)c(-c2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc3ccccc23)c2c(oc3c4c(O)c(O)c(O)c(O)c4c(O)c(O)c32)c1O
InChIInChI=1S/C50H30O10/c51-40-35(36-38-43(54)41(52)37-39(44(55)46(57)45(56)42(37)53)49(38)60-50(36)48(59)47(40)58)32-21-24(20-23-11-2-4-14-26(23)32)33-28-15-5-7-17-30(28)34(31-18-8-6-16-29(31)33)27-19-9-12-22-10-1-3-13-25(22)27/h1-21,51-59H
InChIKeyGEOWUBMIZAOEAC-UHFFFAOYSA-N
MW790.78 g/mol
LogP11.70
Rot. Bonds3

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

7-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol (PubChem CID 163577288) has the molecular formula C50H30O10 and a molecular weight of 790.78 g/mol. Its IUPAC name is 7-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol.

Molecular Properties

Compound Name7-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol
PubChem CID163577288
Molecular FormulaC50H30O10
Molecular Weight790.78 g/mol
Exact Mass790.18
IUPAC Name7-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol
SMILESOc1c(O)c(-c2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc3ccccc23)c2c(oc3c4c(O)c(O)c(O)c(O)c4c(O)c(O)c32)c1O
InChIInChI=1S/C50H30O10/c51-40-35(36-38-43(54)41(52)37-39(44(55)46(57)45(56)42(37)53)49(38)60-50(36)48(59)47(40)58)32-21-24(20-23-11-2-4-14-26(23)32)33-28-15-5-7-17-30(28)34(31-18-8-6-16-29(31)33)27-19-9-12-22-10-1-3-13-25(22)27/h1-21,51-59H
InChIKeyGEOWUBMIZAOEAC-UHFFFAOYSA-N
XLogP11.70
TPSA195.21 Ų
H-Bond Donors9
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500790.78
LogP ≤ 511.70
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1010

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

7-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol
CID 163511513
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[6,7-b][1]benzofuran-2,3,4,6,7,8,9,10,11-nonol
CID 163882147
8-(2,3,6,7-tetrahydroxy-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran-1,2,3,4,6,7,9-heptol
CID 163832230
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol
CID 162006914
8-anthracen-9-yldibenzofuran-1,2,3,4,6,7,9-heptol
CID 142377573
7-[10-(2,3,6-trihydroxy-4,5-diphenylphenyl)anthracen-9-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol
CID 161266318
6-anthracen-9-yldibenzofuran-1,2,3,4,7,8,9-heptol;ethane
CID 142377570
6-[10-[3-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)phenyl]naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163601335
7-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 155205375
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
17-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene
CID 130188634
6-[10-[4-(4-dibenzofuran-4-yldibenzofuran-2-yl)naphthalen-2-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163708347

Frequently Asked Questions

What is the IUPAC name of 7-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol?
The IUPAC name of 7-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol (CID 163577288) is 7-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol.
What is the SMILES notation for 7-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol?
The canonical SMILES for 7-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol is Oc1c(O)c(-c2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc3ccccc23)c2c(oc3c4c(O)c(O)c(O)c(O)c4c(O)c(O)c32)c1O.
What is the InChIKey of 7-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol?
The InChIKey is GEOWUBMIZAOEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O10/c51-40-35(36-38-43(54)41(52)37-39(44(55)46(57)45(56)42(37)53)49(38)60-50(36)48(59)47(40)58)32-21-24(20-23-11-2-4-14-26(23)32)33-28-15-5-7-17-30(28)34(31-18-8-6-16-29(31)33)27-19-9-12-22-10-1-3-13-25(22)27/h1-21,51-59H.
What are the key properties of 7-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol?
7-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol has a molecular weight of 790.78 g/mol, XLogP of 11.70, 3 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[5,6-b][1]benzofuran-1,2,3,4,5,6,8,9,10-nonol is sourced from PubChem (CID 163577288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).