2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene

C42H26 — CID 140801800

IUPAC2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
SMILESc1ccc(-c2ccc3cc(-c4ccc5cc(-c6cc7c8c(cccc8c6)-c6ccccc6-7)ccc5c4)ccc3c2)cc1
InChIInChI=1S/C42H26/c1-2-7-27(8-3-1)28-13-14-30-22-31(16-15-29(30)21-28)32-17-18-34-24-35(20-19-33(34)23-32)37-25-36-9-6-12-40-38-10-4-5-11-39(38)41(26-37)42(36)40/h1-26H
InChIKeyDYDRYKYAQBJMNP-UHFFFAOYSA-N
MW530.67 g/mol
LogP11.79
Rot. Bonds3

About 2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene

2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene (PubChem CID 140801800) has the molecular formula C42H26 and a molecular weight of 530.67 g/mol. Its IUPAC name is 2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene.

Molecular Properties

Compound Name2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
PubChem CID140801800
Molecular FormulaC42H26
Molecular Weight530.67 g/mol
Exact Mass530.20
IUPAC Name2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
SMILESc1ccc(-c2ccc3cc(-c4ccc5cc(-c6cc7c8c(cccc8c6)-c6ccccc6-7)ccc5c4)ccc3c2)cc1
InChIInChI=1S/C42H26/c1-2-7-27(8-3-1)28-13-14-30-22-31(16-15-29(30)21-28)32-17-18-34-24-35(20-19-33(34)23-32)37-25-36-9-6-12-40-38-10-4-5-11-39(38)41(26-37)42(36)40/h1-26H
InChIKeyDYDRYKYAQBJMNP-UHFFFAOYSA-N
XLogP11.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoranthene
CID 140801763
2,9-diphenylfluoranthene
CID 174565991
4-(6-fluoranthen-2-ylnaphthalen-2-yl)pyridine
CID 130295175
2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine
CID 130295192
3-[4-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pyridine
CID 130295169
4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 130295196
1,8-bis(6-phenylnaphthalen-2-yl)naphthalene
CID 123306043
2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine
CID 130295035
4-[4-(3-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295026
2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine
CID 155404604
4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295244
21-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 140801754

Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene?
The IUPAC name of 2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene (CID 140801800) is 2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene.
What is the SMILES notation for 2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene?
The canonical SMILES for 2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene is c1ccc(-c2ccc3cc(-c4ccc5cc(-c6cc7c8c(cccc8c6)-c6ccccc6-7)ccc5c4)ccc3c2)cc1.
What is the InChIKey of 2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene?
The InChIKey is DYDRYKYAQBJMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26/c1-2-7-27(8-3-1)28-13-14-30-22-31(16-15-29(30)21-28)32-17-18-34-24-35(20-19-33(34)23-32)37-25-36-9-6-12-40-38-10-4-5-11-39(38)41(26-37)42(36)40/h1-26H.
What are the key properties of 2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene?
2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene has a molecular weight of 530.67 g/mol, XLogP of 11.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene is sourced from PubChem (CID 140801800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).