1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene

C62H40 — CID 123399401

IUPAC1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
SMILESc1cc(-c2cccc3ccccc23)cc(-c2ccc(-c3ccc(-c4ccc(-c5cccc(-c6cccc7ccccc67)c5)c5ccccc45)c4ccccc34)c3ccccc23)c1
InChIInChI=1S/C62H40/c1-3-23-47-41(15-1)17-13-31-49(47)43-19-11-21-45(39-43)51-33-35-59(55-27-7-5-25-53(51)55)61-37-38-62(58-30-10-9-29-57(58)61)60-36-34-52(54-26-6-8-28-56(54)60)46-22-12-20-44(40-46)50-32-14-18-42-16-2-4-24-48(42)50/h1-40H
InChIKeyWAUYGWVZUDCQCV-UHFFFAOYSA-N
MW785.00 g/mol
LogP17.45
Rot. Bonds6

About 1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene

1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene (PubChem CID 123399401) has the molecular formula C62H40 and a molecular weight of 785.00 g/mol. Its IUPAC name is 1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Name1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
PubChem CID123399401
Molecular FormulaC62H40
Molecular Weight785.00 g/mol
Exact Mass784.31
IUPAC Name1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
SMILESc1cc(-c2cccc3ccccc23)cc(-c2ccc(-c3ccc(-c4ccc(-c5cccc(-c6cccc7ccccc67)c5)c5ccccc45)c4ccccc34)c3ccccc23)c1
InChIInChI=1S/C62H40/c1-3-23-47-41(15-1)17-13-31-49(47)43-19-11-21-45(39-43)51-33-35-59(55-27-7-5-25-53(51)55)61-37-38-62(58-30-10-9-29-57(58)61)60-36-34-52(54-26-6-8-28-56(54)60)46-22-12-20-44(40-46)50-32-14-18-42-16-2-4-24-48(42)50/h1-40H
InChIKeyWAUYGWVZUDCQCV-UHFFFAOYSA-N
XLogP17.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.00
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene
CID 153466528
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
1-(2-methyl-4-naphthalen-1-ylphenyl)naphthalene
CID 145377660
1,10-dinaphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)anthracene
CID 58322712
CID 143913959
CID 143913959
1,3-bis(3-naphthalen-1-ylphenyl)-6,8-diphenylpyrene
CID 170778741
2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
2-naphthalen-1-yl-4-[3-[4-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]pyridine
CID 163947785
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene?
The IUPAC name of 1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene (CID 123399401) is 1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene.
What is the SMILES notation for 1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene?
The canonical SMILES for 1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene is c1cc(-c2cccc3ccccc23)cc(-c2ccc(-c3ccc(-c4ccc(-c5cccc(-c6cccc7ccccc67)c5)c5ccccc45)c4ccccc34)c3ccccc23)c1.
What is the InChIKey of 1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene?
The InChIKey is WAUYGWVZUDCQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40/c1-3-23-47-41(15-1)17-13-31-49(47)43-19-11-21-45(39-43)51-33-35-59(55-27-7-5-25-53(51)55)61-37-38-62(58-30-10-9-29-57(58)61)60-36-34-52(54-26-6-8-28-56(54)60)46-22-12-20-44(40-46)50-32-14-18-42-16-2-4-24-48(42)50/h1-40H.
What are the key properties of 1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene?
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene has a molecular weight of 785.00 g/mol, XLogP of 17.45, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene is sourced from PubChem (CID 123399401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).