7,10-diethyl-8-naphthalen-1-ylfluoranthene

C30H24 — CID 13193577

IUPAC7,10-diethyl-8-naphthalen-1-ylfluoranthene
SMILESCCc1cc(-c2cccc3ccccc23)c(CC)c2c1-c1cccc3cccc-2c13
InChIInChI=1S/C30H24/c1-3-19-18-27(24-15-7-11-20-10-5-6-14-23(20)24)22(4-2)30-26-17-9-13-21-12-8-16-25(28(21)26)29(19)30/h5-18H,3-4H2,1-2H3
InChIKeyCJDWRTKDHALKSV-UHFFFAOYSA-N
MW384.52 g/mol
LogP8.43
Rot. Bonds3

About 7,10-diethyl-8-naphthalen-1-ylfluoranthene

7,10-diethyl-8-naphthalen-1-ylfluoranthene (PubChem CID 13193577) has the molecular formula C30H24 and a molecular weight of 384.52 g/mol. Its IUPAC name is 7,10-diethyl-8-naphthalen-1-ylfluoranthene.

Molecular Properties

Compound Name7,10-diethyl-8-naphthalen-1-ylfluoranthene
PubChem CID13193577
Molecular FormulaC30H24
Molecular Weight384.52 g/mol
Exact Mass384.19
IUPAC Name7,10-diethyl-8-naphthalen-1-ylfluoranthene
SMILESCCc1cc(-c2cccc3ccccc23)c(CC)c2c1-c1cccc3cccc-2c13
InChIInChI=1S/C30H24/c1-3-19-18-27(24-15-7-11-20-10-5-6-14-23(20)24)22(4-2)30-26-17-9-13-21-12-8-16-25(28(21)26)29(19)30/h5-18H,3-4H2,1-2H3
InChIKeyCJDWRTKDHALKSV-UHFFFAOYSA-N
XLogP8.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-chloro-7,12-diethylbenzo[k]fluoranthene
CID 10860822
1-ethylnaphthalene;pyrene
CID 174849884
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
8-(7,10-diethylfluoranthen-3-yl)-22-(7,12-diethyl-8-methylbenzo[k]fluoranthen-4-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene
CID 163677676
1-ethylnaphthalene;1-phenylnaphthalene
CID 173023243
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
5-ethyl-2,3-dihydroxy-6-methyl-4-naphthalen-1-ylcyclohepta-2,4,6-trien-1-one
CID 166897880

Frequently Asked Questions

What is the IUPAC name of 7,10-diethyl-8-naphthalen-1-ylfluoranthene?
The IUPAC name of 7,10-diethyl-8-naphthalen-1-ylfluoranthene (CID 13193577) is 7,10-diethyl-8-naphthalen-1-ylfluoranthene.
What is the SMILES notation for 7,10-diethyl-8-naphthalen-1-ylfluoranthene?
The canonical SMILES for 7,10-diethyl-8-naphthalen-1-ylfluoranthene is CCc1cc(-c2cccc3ccccc23)c(CC)c2c1-c1cccc3cccc-2c13.
What is the InChIKey of 7,10-diethyl-8-naphthalen-1-ylfluoranthene?
The InChIKey is CJDWRTKDHALKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24/c1-3-19-18-27(24-15-7-11-20-10-5-6-14-23(20)24)22(4-2)30-26-17-9-13-21-12-8-16-25(28(21)26)29(19)30/h5-18H,3-4H2,1-2H3.
What are the key properties of 7,10-diethyl-8-naphthalen-1-ylfluoranthene?
7,10-diethyl-8-naphthalen-1-ylfluoranthene has a molecular weight of 384.52 g/mol, XLogP of 8.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diethyl-8-naphthalen-1-ylfluoranthene is sourced from PubChem (CID 13193577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).