4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene

C50H32 — CID 159717839

IUPAC4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
SMILESc1ccc2cc(-c3ccc4cc(-c5ccc(-c6cccc7ccccc67)c6c(-c7cccc8ccccc78)cccc56)ccc4c3)ccc2c1
InChIInChI=1S/C50H32/c1-2-13-36-30-37(23-22-33(36)10-1)38-24-25-40-32-41(27-26-39(40)31-38)44-28-29-49(46-19-8-15-35-12-4-6-17-43(35)46)50-47(44)20-9-21-48(50)45-18-7-14-34-11-3-5-16-42(34)45/h1-32H
InChIKeyBNNNFVBHQUGJGT-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene

4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene (PubChem CID 159717839) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene.

Molecular Properties

Compound Name4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
PubChem CID159717839
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
SMILESc1ccc2cc(-c3ccc4cc(-c5ccc(-c6cccc7ccccc67)c6c(-c7cccc8ccccc78)cccc56)ccc4c3)ccc2c1
InChIInChI=1S/C50H32/c1-2-13-36-30-37(23-22-33(36)10-1)38-24-25-40-32-41(27-26-39(40)31-38)44-28-29-49(46-19-8-15-35-12-4-6-17-43(35)46)50-47(44)20-9-21-48(50)45-18-7-14-34-11-3-5-16-42(34)45/h1-32H
InChIKeyBNNNFVBHQUGJGT-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

3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 161364100
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
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
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
19-naphthalen-2-ylhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene
CID 140710714
3-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-8-phenylfluoranthene
CID 58544667
3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene
CID 58323557
3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569073

Frequently Asked Questions

What is the IUPAC name of 4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene?
The IUPAC name of 4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene (CID 159717839) is 4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene.
What is the SMILES notation for 4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene?
The canonical SMILES for 4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene is c1ccc2cc(-c3ccc4cc(-c5ccc(-c6cccc7ccccc67)c6c(-c7cccc8ccccc78)cccc56)ccc4c3)ccc2c1.
What is the InChIKey of 4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene?
The InChIKey is BNNNFVBHQUGJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-2-13-36-30-37(23-22-33(36)10-1)38-24-25-40-32-41(27-26-39(40)31-38)44-28-29-49(46-19-8-15-35-12-4-6-17-43(35)46)50-47(44)20-9-21-48(50)45-18-7-14-34-11-3-5-16-42(34)45/h1-32H.
What are the key properties of 4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene?
4,5-dinaphthalen-1-yl-1-(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 4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene is sourced from PubChem (CID 159717839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).