2-naphthalen-1-yl-1-(2-naphthalen-1-ylphenyl)fluoranthene

C42H26 — CID 166134124

IUPAC2-naphthalen-1-yl-1-(2-naphthalen-1-ylphenyl)fluoranthene
SMILESc1ccc(-c2cccc3ccccc23)c(-c2c(-c3cccc4ccccc34)cc3cccc4c3c2-c2ccccc2-4)c1
InChIInChI=1S/C42H26/c1-3-17-30-27(12-1)14-9-23-32(30)34-19-5-7-21-37(34)41-39(33-24-10-15-28-13-2-4-18-31(28)33)26-29-16-11-25-36-35-20-6-8-22-38(35)42(41)40(29)36/h1-26H
InChIKeyVTQCKPDBQMBZRK-UHFFFAOYSA-N
MW530.67 g/mol
LogP11.79
Rot. Bonds3

About 2-naphthalen-1-yl-1-(2-naphthalen-1-ylphenyl)fluoranthene

2-naphthalen-1-yl-1-(2-naphthalen-1-ylphenyl)fluoranthene (PubChem CID 166134124) has the molecular formula C42H26 and a molecular weight of 530.67 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1-(2-naphthalen-1-ylphenyl)fluoranthene.

Molecular Properties

Compound Name2-naphthalen-1-yl-1-(2-naphthalen-1-ylphenyl)fluoranthene
PubChem CID166134124
Molecular FormulaC42H26
Molecular Weight530.67 g/mol
Exact Mass530.20
IUPAC Name2-naphthalen-1-yl-1-(2-naphthalen-1-ylphenyl)fluoranthene
SMILESc1ccc(-c2cccc3ccccc23)c(-c2c(-c3cccc4ccccc34)cc3cccc4c3c2-c2ccccc2-4)c1
InChIInChI=1S/C42H26/c1-3-17-30-27(12-1)14-9-23-32(30)34-19-5-7-21-37(34)41-39(33-24-10-15-28-13-2-4-18-31(28)33)26-29-16-11-25-36-35-20-6-8-22-38(35)42(41)40(29)36/h1-26H
InChIKeyVTQCKPDBQMBZRK-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

9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
1-(4-fluoranthen-1-ylnaphthalen-1-yl)fluoranthene
CID 139892613
octacyclo[19.10.1.02,19.05,18.06,11.012,17.025,32.026,31]dotriaconta-1(32),2(19),3,5(18),6,8,10,12,14,16,20,22,24,26,28,30-hexadecaene
CID 139946483
3-naphthalen-1-yl-1,2-bis(2-naphthalen-1-ylphenyl)chrysene
CID 175811035
15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene
CID 87763316
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
1-naphthalen-1-yl-5-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
CID 143896895
2,3-dinaphthalen-1-yl-1-phenylanthracene
CID 151512335
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
CID 175282704
CID 175282704
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1-(2-naphthalen-1-ylphenyl)fluoranthene?
The IUPAC name of 2-naphthalen-1-yl-1-(2-naphthalen-1-ylphenyl)fluoranthene (CID 166134124) is 2-naphthalen-1-yl-1-(2-naphthalen-1-ylphenyl)fluoranthene.
What is the SMILES notation for 2-naphthalen-1-yl-1-(2-naphthalen-1-ylphenyl)fluoranthene?
The canonical SMILES for 2-naphthalen-1-yl-1-(2-naphthalen-1-ylphenyl)fluoranthene is c1ccc(-c2cccc3ccccc23)c(-c2c(-c3cccc4ccccc34)cc3cccc4c3c2-c2ccccc2-4)c1.
What is the InChIKey of 2-naphthalen-1-yl-1-(2-naphthalen-1-ylphenyl)fluoranthene?
The InChIKey is VTQCKPDBQMBZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26/c1-3-17-30-27(12-1)14-9-23-32(30)34-19-5-7-21-37(34)41-39(33-24-10-15-28-13-2-4-18-31(28)33)26-29-16-11-25-36-35-20-6-8-22-38(35)42(41)40(29)36/h1-26H.
What are the key properties of 2-naphthalen-1-yl-1-(2-naphthalen-1-ylphenyl)fluoranthene?
2-naphthalen-1-yl-1-(2-naphthalen-1-ylphenyl)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-naphthalen-1-yl-1-(2-naphthalen-1-ylphenyl)fluoranthene is sourced from PubChem (CID 166134124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).