4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene

C50H32 — CID 161364100

IUPAC4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
SMILESc1ccc2cc(-c3ccc4cc(-c5ccc6c(-c7ccc8ccccc8c7)ccc(-c7cccc8ccccc78)c6c5)ccc4c3)ccc2c1
InChIInChI=1S/C50H32/c1-3-11-36-28-38(18-16-33(36)8-1)39-19-20-41-30-42(22-21-40(41)29-39)43-24-25-48-46(44-23-17-34-9-2-4-12-37(34)31-44)26-27-49(50(48)32-43)47-15-7-13-35-10-5-6-14-45(35)47/h1-32H
InChIKeyZAERTOHYRXGJTE-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene

4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene (PubChem CID 161364100) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene.

Molecular Properties

Compound Name4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
PubChem CID161364100
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
SMILESc1ccc2cc(-c3ccc4cc(-c5ccc6c(-c7ccc8ccccc8c7)ccc(-c7cccc8ccccc78)c6c5)ccc4c3)ccc2c1
InChIInChI=1S/C50H32/c1-3-11-36-28-38(18-16-33(36)8-1)39-19-20-41-30-42(22-21-40(41)29-39)43-24-25-48-46(44-23-17-34-9-2-4-12-37(34)31-44)26-27-49(50(48)32-43)47-15-7-13-35-10-5-6-14-45(35)47/h1-32H
InChIKeyZAERTOHYRXGJTE-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene;2-(5,8-dinaphthalen-2-ylnaphthalen-2-yl)triphenylene;2-(5-naphthalen-1-yl-8-naphthalen-2-ylnaphthalen-2-yl)triphenylene
CID 161163611
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 143886225
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene
CID 159069619
2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene
CID 123541562
2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene
CID 161163612
6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene
CID 59399019
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
1,6-dinaphthalen-2-yl-4-phenylnaphthalene
CID 159069620

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene?
The IUPAC name of 4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene (CID 161364100) is 4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene.
What is the SMILES notation for 4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene?
The canonical SMILES for 4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene is c1ccc2cc(-c3ccc4cc(-c5ccc6c(-c7ccc8ccccc8c7)ccc(-c7cccc8ccccc78)c6c5)ccc4c3)ccc2c1.
What is the InChIKey of 4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene?
The InChIKey is ZAERTOHYRXGJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-3-11-36-28-38(18-16-33(36)8-1)39-19-20-41-30-42(22-21-40(41)29-39)43-24-25-48-46(44-23-17-34-9-2-4-12-37(34)31-44)26-27-49(50(48)32-43)47-15-7-13-35-10-5-6-14-45(35)47/h1-32H.
What are the key properties of 4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene?
4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene has a molecular weight of 632.81 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene is sourced from PubChem (CID 161364100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).