2-[2,5-difluoro-4-(5-naphthalen-2-ylnaphthalen-2-yl)-3,6-bis(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-7-naphthalen-2-ylnaphthalene

C86H52F2 — CID 46187509

IUPAC2-[2,5-difluoro-4-(5-naphthalen-2-ylnaphthalen-2-yl)-3,6-bis(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-7-naphthalen-2-ylnaphthalene
SMILESFc1c(-c2ccc3c(-c4ccc5ccccc5c4)cccc3c2)c(-c2ccc3cccc(-c4ccc5ccccc5c4)c3c2)c(F)c(-c2ccc3ccc(-c4ccc5ccccc5c4)cc3c2)c1-c1ccc2cccc(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C86H52F2/c87-85-81(70-39-31-57-27-35-65(48-74(57)50-70)64-34-26-53-12-1-5-16-60(53)44-64)83(72-40-32-58-20-9-24-76(79(58)51-72)68-37-29-55-14-3-7-18-62(55)46-68)86(88)82(71-42-43-78-66(49-71)22-11-23-75(78)67-36-28-54-13-2-6-17-61(54)45-67)84(85)73-41-33-59-21-10-25-77(80(59)52-73)69-38-30-56-15-4-8-19-63(56)47-69/h1-52H
InChIKeyMYHRWQOLAUYJEW-UHFFFAOYSA-N
MW1123.36 g/mol
LogP24.53
Rot. Bonds8

About 2-[2,5-difluoro-4-(5-naphthalen-2-ylnaphthalen-2-yl)-3,6-bis(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-7-naphthalen-2-ylnaphthalene

2-[2,5-difluoro-4-(5-naphthalen-2-ylnaphthalen-2-yl)-3,6-bis(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-7-naphthalen-2-ylnaphthalene (PubChem CID 46187509) has the molecular formula C86H52F2 and a molecular weight of 1123.36 g/mol. Its IUPAC name is 2-[2,5-difluoro-4-(5-naphthalen-2-ylnaphthalen-2-yl)-3,6-bis(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-7-naphthalen-2-ylnaphthalene.

Molecular Properties

Compound Name2-[2,5-difluoro-4-(5-naphthalen-2-ylnaphthalen-2-yl)-3,6-bis(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-7-naphthalen-2-ylnaphthalene
PubChem CID46187509
Molecular FormulaC86H52F2
Molecular Weight1123.36 g/mol
Exact Mass1122.40
IUPAC Name2-[2,5-difluoro-4-(5-naphthalen-2-ylnaphthalen-2-yl)-3,6-bis(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-7-naphthalen-2-ylnaphthalene
SMILESFc1c(-c2ccc3c(-c4ccc5ccccc5c4)cccc3c2)c(-c2ccc3cccc(-c4ccc5ccccc5c4)c3c2)c(F)c(-c2ccc3ccc(-c4ccc5ccccc5c4)cc3c2)c1-c1ccc2cccc(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C86H52F2/c87-85-81(70-39-31-57-27-35-65(48-74(57)50-70)64-34-26-53-12-1-5-16-60(53)44-64)83(72-40-32-58-20-9-24-76(79(58)51-72)68-37-29-55-14-3-7-18-62(55)46-68)86(88)82(71-42-43-78-66(49-71)22-11-23-75(78)67-36-28-54-13-2-6-17-61(54)45-67)84(85)73-41-33-59-21-10-25-77(80(59)52-73)69-38-30-56-15-4-8-19-63(56)47-69/h1-52H
InChIKeyMYHRWQOLAUYJEW-UHFFFAOYSA-N
XLogP24.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001123.36
LogP ≤ 524.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[2,5-difluoro-4-(5-naphthalen-2-ylnaphthalen-2-yl)-3,6-bis(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-7-naphthalen-2-ylnaphthalene with MolForge

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Related Compounds

2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 143886225
2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 58322960
2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58323030
2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58322767
9-naphthalen-2-yl-10-[3-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene
CID 123993822
4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 161364100
2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene
CID 123541562
2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322858
9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
CID 25112576
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
CID 123979832
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-difluoro-4-(5-naphthalen-2-ylnaphthalen-2-yl)-3,6-bis(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-7-naphthalen-2-ylnaphthalene?
The IUPAC name of 2-[2,5-difluoro-4-(5-naphthalen-2-ylnaphthalen-2-yl)-3,6-bis(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-7-naphthalen-2-ylnaphthalene (CID 46187509) is 2-[2,5-difluoro-4-(5-naphthalen-2-ylnaphthalen-2-yl)-3,6-bis(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-7-naphthalen-2-ylnaphthalene.
What is the SMILES notation for 2-[2,5-difluoro-4-(5-naphthalen-2-ylnaphthalen-2-yl)-3,6-bis(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-7-naphthalen-2-ylnaphthalene?
The canonical SMILES for 2-[2,5-difluoro-4-(5-naphthalen-2-ylnaphthalen-2-yl)-3,6-bis(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-7-naphthalen-2-ylnaphthalene is Fc1c(-c2ccc3c(-c4ccc5ccccc5c4)cccc3c2)c(-c2ccc3cccc(-c4ccc5ccccc5c4)c3c2)c(F)c(-c2ccc3ccc(-c4ccc5ccccc5c4)cc3c2)c1-c1ccc2cccc(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 2-[2,5-difluoro-4-(5-naphthalen-2-ylnaphthalen-2-yl)-3,6-bis(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-7-naphthalen-2-ylnaphthalene?
The InChIKey is MYHRWQOLAUYJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H52F2/c87-85-81(70-39-31-57-27-35-65(48-74(57)50-70)64-34-26-53-12-1-5-16-60(53)44-64)83(72-40-32-58-20-9-24-76(79(58)51-72)68-37-29-55-14-3-7-18-62(55)46-68)86(88)82(71-42-43-78-66(49-71)22-11-23-75(78)67-36-28-54-13-2-6-17-61(54)45-67)84(85)73-41-33-59-21-10-25-77(80(59)52-73)69-38-30-56-15-4-8-19-63(56)47-69/h1-52H.
What are the key properties of 2-[2,5-difluoro-4-(5-naphthalen-2-ylnaphthalen-2-yl)-3,6-bis(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-7-naphthalen-2-ylnaphthalene?
2-[2,5-difluoro-4-(5-naphthalen-2-ylnaphthalen-2-yl)-3,6-bis(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-7-naphthalen-2-ylnaphthalene has a molecular weight of 1123.36 g/mol, XLogP of 24.53, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-difluoro-4-(5-naphthalen-2-ylnaphthalen-2-yl)-3,6-bis(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-7-naphthalen-2-ylnaphthalene is sourced from PubChem (CID 46187509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).