9-[3-methoxy-4-[2-methoxy-3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]-10-naphthalen-2-ylanthracene

C70H46O2 — CID 154996191

IUPAC9-[3-methoxy-4-[2-methoxy-3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]-10-naphthalen-2-ylanthracene
SMILESCOc1c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc2ccccc2c1-c1c(OC)c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc2ccccc12
InChIInChI=1S/C70H46O2/c1-71-69-61(65-57-31-15-11-27-53(57)63(54-28-12-16-32-58(54)65)49-37-35-43-19-3-5-21-45(43)39-49)41-47-23-7-9-25-51(47)67(69)68-52-26-10-8-24-48(52)42-62(70(68)72-2)66-59-33-17-13-29-55(59)64(56-30-14-18-34-60(56)66)50-38-36-44-20-4-6-22-46(44)40-50/h3-42H,1-2H3
InChIKeyVGJWZGPTBAIWJT-UHFFFAOYSA-N
MW919.14 g/mol
LogP19.26
Rot. Bonds7

About 9-[3-methoxy-4-[2-methoxy-3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]-10-naphthalen-2-ylanthracene

9-[3-methoxy-4-[2-methoxy-3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]-10-naphthalen-2-ylanthracene (PubChem CID 154996191) has the molecular formula C70H46O2 and a molecular weight of 919.14 g/mol. Its IUPAC name is 9-[3-methoxy-4-[2-methoxy-3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-[3-methoxy-4-[2-methoxy-3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]-10-naphthalen-2-ylanthracene
PubChem CID154996191
Molecular FormulaC70H46O2
Molecular Weight919.14 g/mol
Exact Mass918.35
IUPAC Name9-[3-methoxy-4-[2-methoxy-3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]-10-naphthalen-2-ylanthracene
SMILESCOc1c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc2ccccc2c1-c1c(OC)c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc2ccccc12
InChIInChI=1S/C70H46O2/c1-71-69-61(65-57-31-15-11-27-53(57)63(54-28-12-16-32-58(54)65)49-37-35-43-19-3-5-21-45(43)39-49)41-47-23-7-9-25-51(47)67(69)68-52-26-10-8-24-48(52)42-62(70(68)72-2)66-59-33-17-13-29-55(59)64(56-30-14-18-34-60(56)66)50-38-36-44-20-4-6-22-46(44)40-50/h3-42H,1-2H3
InChIKeyVGJWZGPTBAIWJT-UHFFFAOYSA-N
XLogP19.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.14
LogP ≤ 519.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene
CID 10531028
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 59412578
7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 59412736
9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 86701353
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
9-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-phenanthren-9-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 159797606
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 123218552

Frequently Asked Questions

What is the IUPAC name of 9-[3-methoxy-4-[2-methoxy-3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]-10-naphthalen-2-ylanthracene?
The IUPAC name of 9-[3-methoxy-4-[2-methoxy-3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]-10-naphthalen-2-ylanthracene (CID 154996191) is 9-[3-methoxy-4-[2-methoxy-3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]-10-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-[3-methoxy-4-[2-methoxy-3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]-10-naphthalen-2-ylanthracene?
The canonical SMILES for 9-[3-methoxy-4-[2-methoxy-3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]-10-naphthalen-2-ylanthracene is COc1c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc2ccccc2c1-c1c(OC)c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc2ccccc12.
What is the InChIKey of 9-[3-methoxy-4-[2-methoxy-3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]-10-naphthalen-2-ylanthracene?
The InChIKey is VGJWZGPTBAIWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46O2/c1-71-69-61(65-57-31-15-11-27-53(57)63(54-28-12-16-32-58(54)65)49-37-35-43-19-3-5-21-45(43)39-49)41-47-23-7-9-25-51(47)67(69)68-52-26-10-8-24-48(52)42-62(70(68)72-2)66-59-33-17-13-29-55(59)64(56-30-14-18-34-60(56)66)50-38-36-44-20-4-6-22-46(44)40-50/h3-42H,1-2H3.
What are the key properties of 9-[3-methoxy-4-[2-methoxy-3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]-10-naphthalen-2-ylanthracene?
9-[3-methoxy-4-[2-methoxy-3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]-10-naphthalen-2-ylanthracene has a molecular weight of 919.14 g/mol, XLogP of 19.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-methoxy-4-[2-methoxy-3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 154996191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).