1,8-bis(6-phenylnaphthalen-2-yl)naphthalene

C42H28 — CID 123306043

IUPAC1,8-bis(6-phenylnaphthalen-2-yl)naphthalene
SMILESc1ccc(-c2ccc3cc(-c4cccc5cccc(-c6ccc7cc(-c8ccccc8)ccc7c6)c45)ccc3c2)cc1
InChIInChI=1S/C42H28/c1-3-9-29(10-4-1)32-17-19-36-27-38(23-21-34(36)25-32)40-15-7-13-31-14-8-16-41(42(31)40)39-24-22-35-26-33(18-20-37(35)28-39)30-11-5-2-6-12-30/h1-28H
InChIKeyRMJXFTCXYSKBEO-UHFFFAOYSA-N
MW532.69 g/mol
LogP11.81
Rot. Bonds4

About 1,8-bis(6-phenylnaphthalen-2-yl)naphthalene

1,8-bis(6-phenylnaphthalen-2-yl)naphthalene (PubChem CID 123306043) has the molecular formula C42H28 and a molecular weight of 532.69 g/mol. Its IUPAC name is 1,8-bis(6-phenylnaphthalen-2-yl)naphthalene.

Molecular Properties

Compound Name1,8-bis(6-phenylnaphthalen-2-yl)naphthalene
PubChem CID123306043
Molecular FormulaC42H28
Molecular Weight532.69 g/mol
Exact Mass532.22
IUPAC Name1,8-bis(6-phenylnaphthalen-2-yl)naphthalene
SMILESc1ccc(-c2ccc3cc(-c4cccc5cccc(-c6ccc7cc(-c8ccccc8)ccc7c6)c45)ccc3c2)cc1
InChIInChI=1S/C42H28/c1-3-9-29(10-4-1)32-17-19-36-27-38(23-21-34(36)25-32)40-15-7-13-31-14-8-16-41(42(31)40)39-24-22-35-26-33(18-20-37(35)28-39)30-11-5-2-6-12-30/h1-28H
InChIKeyRMJXFTCXYSKBEO-UHFFFAOYSA-N
XLogP11.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
CID 140801800
benzo[f]azulene
CID 13065869
1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene
CID 123142819
N-(4-naphthalen-2-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 168809650
1,6-dinaphthalen-2-yl-3,8-bis(3-phenylphenyl)pyrene
CID 59391099
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
2-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoranthene
CID 140801763
4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene
CID 59638749
9-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 58194550
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene
CID 58194478
2-(8-pyren-2-ylnaphthalen-1-yl)pyrene
CID 13126696
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(8-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076845

Frequently Asked Questions

What is the IUPAC name of 1,8-bis(6-phenylnaphthalen-2-yl)naphthalene?
The IUPAC name of 1,8-bis(6-phenylnaphthalen-2-yl)naphthalene (CID 123306043) is 1,8-bis(6-phenylnaphthalen-2-yl)naphthalene.
What is the SMILES notation for 1,8-bis(6-phenylnaphthalen-2-yl)naphthalene?
The canonical SMILES for 1,8-bis(6-phenylnaphthalen-2-yl)naphthalene is c1ccc(-c2ccc3cc(-c4cccc5cccc(-c6ccc7cc(-c8ccccc8)ccc7c6)c45)ccc3c2)cc1.
What is the InChIKey of 1,8-bis(6-phenylnaphthalen-2-yl)naphthalene?
The InChIKey is RMJXFTCXYSKBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28/c1-3-9-29(10-4-1)32-17-19-36-27-38(23-21-34(36)25-32)40-15-7-13-31-14-8-16-41(42(31)40)39-24-22-35-26-33(18-20-37(35)28-39)30-11-5-2-6-12-30/h1-28H.
What are the key properties of 1,8-bis(6-phenylnaphthalen-2-yl)naphthalene?
1,8-bis(6-phenylnaphthalen-2-yl)naphthalene has a molecular weight of 532.69 g/mol, XLogP of 11.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis(6-phenylnaphthalen-2-yl)naphthalene is sourced from PubChem (CID 123306043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).