1-(2,4,6-triethylphenyl)-4-[4-(2,4,6-triethylphenyl)naphthalen-1-yl]naphthalene

C44H46 — CID 102266833

IUPAC1-(2,4,6-triethylphenyl)-4-[4-(2,4,6-triethylphenyl)naphthalen-1-yl]naphthalene
SMILESCCc1cc(CC)c(-c2ccc(-c3ccc(-c4c(CC)cc(CC)cc4CC)c4ccccc34)c3ccccc23)c(CC)c1
InChIInChI=1S/C44H46/c1-7-29-25-31(9-3)43(32(10-4)26-29)41-23-21-39(35-17-13-15-19-37(35)41)40-22-24-42(38-20-16-14-18-36(38)40)44-33(11-5)27-30(8-2)28-34(44)12-6/h13-28H,7-12H2,1-6H3
InChIKeyAQBGTCTYDVPUNB-UHFFFAOYSA-N
MW574.85 g/mol
LogP12.37
Rot. Bonds9

About 1-(2,4,6-triethylphenyl)-4-[4-(2,4,6-triethylphenyl)naphthalen-1-yl]naphthalene

1-(2,4,6-triethylphenyl)-4-[4-(2,4,6-triethylphenyl)naphthalen-1-yl]naphthalene (PubChem CID 102266833) has the molecular formula C44H46 and a molecular weight of 574.85 g/mol. Its IUPAC name is 1-(2,4,6-triethylphenyl)-4-[4-(2,4,6-triethylphenyl)naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Name1-(2,4,6-triethylphenyl)-4-[4-(2,4,6-triethylphenyl)naphthalen-1-yl]naphthalene
PubChem CID102266833
Molecular FormulaC44H46
Molecular Weight574.85 g/mol
Exact Mass574.36
IUPAC Name1-(2,4,6-triethylphenyl)-4-[4-(2,4,6-triethylphenyl)naphthalen-1-yl]naphthalene
SMILESCCc1cc(CC)c(-c2ccc(-c3ccc(-c4c(CC)cc(CC)cc4CC)c4ccccc34)c3ccccc23)c(CC)c1
InChIInChI=1S/C44H46/c1-7-29-25-31(9-3)43(32(10-4)26-29)41-23-21-39(35-17-13-15-19-37(35)41)40-22-24-42(38-20-16-14-18-36(38)40)44-33(11-5)27-30(8-2)28-34(44)12-6/h13-28H,7-12H2,1-6H3
InChIKeyAQBGTCTYDVPUNB-UHFFFAOYSA-N
XLogP12.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.85
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3,5-triethyl-2-[2-iodo-3-(2,4,6-triethylphenyl)phenyl]benzene
CID 163342457
1,3-diethylanthracene-9,10-dione
CID 22321054
2-(2,4-diethylphenyl)-3,5-diethylphenol
CID 141260398
4-(2,4-diethyl-6-hydroxyphenyl)benzene-1,3-diol
CID 101303228
2,4-diethyl-1-(2-methylphenyl)benzene
CID 142070386
4-(2,4,6-triethylphenyl)-2,3-dihydro-1H-indole
CID 116698620
(2,4-diethylphenyl)methanol
CID 21414896
6-bromo-13-chloro-10,16-bis(2,4,6-triethylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2,4,6,8,10,16,18,20,22-decaene 13-oxide
CID 118135204
2,4-diethyl-1-(4-ethylphenyl)benzene
CID 102240206
2-(3,5-dimethylphenyl)-1,3,5-triethylbenzene
CID 123795818
anthracene;2,4-diethylthioxanthen-9-one
CID 174943312
7,10-diethyl-8-naphthalen-1-ylfluoranthene
CID 13193577

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-triethylphenyl)-4-[4-(2,4,6-triethylphenyl)naphthalen-1-yl]naphthalene?
The IUPAC name of 1-(2,4,6-triethylphenyl)-4-[4-(2,4,6-triethylphenyl)naphthalen-1-yl]naphthalene (CID 102266833) is 1-(2,4,6-triethylphenyl)-4-[4-(2,4,6-triethylphenyl)naphthalen-1-yl]naphthalene.
What is the SMILES notation for 1-(2,4,6-triethylphenyl)-4-[4-(2,4,6-triethylphenyl)naphthalen-1-yl]naphthalene?
The canonical SMILES for 1-(2,4,6-triethylphenyl)-4-[4-(2,4,6-triethylphenyl)naphthalen-1-yl]naphthalene is CCc1cc(CC)c(-c2ccc(-c3ccc(-c4c(CC)cc(CC)cc4CC)c4ccccc34)c3ccccc23)c(CC)c1.
What is the InChIKey of 1-(2,4,6-triethylphenyl)-4-[4-(2,4,6-triethylphenyl)naphthalen-1-yl]naphthalene?
The InChIKey is AQBGTCTYDVPUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46/c1-7-29-25-31(9-3)43(32(10-4)26-29)41-23-21-39(35-17-13-15-19-37(35)41)40-22-24-42(38-20-16-14-18-36(38)40)44-33(11-5)27-30(8-2)28-34(44)12-6/h13-28H,7-12H2,1-6H3.
What are the key properties of 1-(2,4,6-triethylphenyl)-4-[4-(2,4,6-triethylphenyl)naphthalen-1-yl]naphthalene?
1-(2,4,6-triethylphenyl)-4-[4-(2,4,6-triethylphenyl)naphthalen-1-yl]naphthalene has a molecular weight of 574.85 g/mol, XLogP of 12.37, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-triethylphenyl)-4-[4-(2,4,6-triethylphenyl)naphthalen-1-yl]naphthalene is sourced from PubChem (CID 102266833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).