ethane;methane;methylcyclopropane;1-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)pyrene;propane

C58H56 — CID 143291513

IUPACethane;methane;methylcyclopropane;1-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)pyrene;propane
SMILESC.CC.CC1CC1.CCC.c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7ccccc67)cc5)c5ccc2c3c45)c1
InChIInChI=1S/C48H30.C4H8.C3H8.C2H6.CH4/c1-2-9-37-29-39(22-15-31(37)7-1)38-11-5-12-40(30-38)44-26-24-36-21-20-35-23-25-43(45-27-28-46(44)48(36)47(35)45)34-18-16-33(17-19-34)42-14-6-10-32-8-3-4-13-41(32)42;1-4-2-3-4;1-3-2;1-2;/h1-30H;4H,2-3H2,1H3;3H2,1-2H3;1-2H3;1H4
InChIKeyUMGPDHVMFVCVKN-UHFFFAOYSA-N
MW753.09 g/mol
LogP18.05
Rot. Bonds4

About ethane;methane;methylcyclopropane;1-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)pyrene;propane

ethane;methane;methylcyclopropane;1-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)pyrene;propane (PubChem CID 143291513) has the molecular formula C58H56 and a molecular weight of 753.09 g/mol. Its IUPAC name is ethane;methane;methylcyclopropane;1-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)pyrene;propane.

Molecular Properties

Compound Nameethane;methane;methylcyclopropane;1-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)pyrene;propane
PubChem CID143291513
Molecular FormulaC58H56
Molecular Weight753.09 g/mol
Exact Mass752.44
IUPAC Nameethane;methane;methylcyclopropane;1-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)pyrene;propane
SMILESC.CC.CC1CC1.CCC.c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7ccccc67)cc5)c5ccc2c3c45)c1
InChIInChI=1S/C48H30.C4H8.C3H8.C2H6.CH4/c1-2-9-37-29-39(22-15-31(37)7-1)38-11-5-12-40(30-38)44-26-24-36-21-20-35-23-25-43(45-27-28-46(44)48(36)47(35)45)34-18-16-33(17-19-34)42-14-6-10-32-8-3-4-13-41(32)42;1-4-2-3-4;1-3-2;1-2;/h1-30H;4H,2-3H2,1H3;3H2,1-2H3;1-2H3;1H4
InChIKeyUMGPDHVMFVCVKN-UHFFFAOYSA-N
XLogP18.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.09
LogP ≤ 518.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-(3-naphthalen-2-ylphenyl)-6-[3-[3-[3-(6-phenylpyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-(3-naphthalen-2-ylphenyl)-6-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)-6-[4-[3-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[2-[2-(3-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[4-[2-[2-(4-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159994110
1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene
CID 157179117
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene
CID 123142819
1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene
CID 158032644
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 143886225
1-[3-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]phenyl]pyrene;1-[9,9-dimethyl-7-(3-naphthalen-2-yl-5-phenylphenyl)fluoren-2-yl]pyrene;1-[4-(3,5-dinaphthalen-1-ylphenyl)phenyl]pyrene;1-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]pyrene;1-(4-naphthalen-2-ylnaphthalen-1-yl)pyrene;1-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)pyrene;1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 160669115
tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)
CID 159354982
3-naphthalen-1-yl-7-pyren-1-yldibenzothiophene;3-naphthalen-2-yl-7-pyren-1-yldibenzothiophene;3-(2-phenylphenyl)-7-pyren-1-yldibenzothiophene;3-phenyl-7-(6-phenylpyren-1-yl)dibenzothiophene;3-phenyl-7-[4-(6-phenylpyren-1-yl)phenyl]dibenzothiophene;3-phenyl-7-(4-pyren-1-ylphenyl)dibenzothiophene
CID 158302671
5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene
CID 59390472

Frequently Asked Questions

What is the IUPAC name of ethane;methane;methylcyclopropane;1-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)pyrene;propane?
The IUPAC name of ethane;methane;methylcyclopropane;1-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)pyrene;propane (CID 143291513) is ethane;methane;methylcyclopropane;1-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)pyrene;propane.
What is the SMILES notation for ethane;methane;methylcyclopropane;1-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)pyrene;propane?
The canonical SMILES for ethane;methane;methylcyclopropane;1-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)pyrene;propane is C.CC.CC1CC1.CCC.c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7ccccc67)cc5)c5ccc2c3c45)c1.
What is the InChIKey of ethane;methane;methylcyclopropane;1-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)pyrene;propane?
The InChIKey is UMGPDHVMFVCVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30.C4H8.C3H8.C2H6.CH4/c1-2-9-37-29-39(22-15-31(37)7-1)38-11-5-12-40(30-38)44-26-24-36-21-20-35-23-25-43(45-27-28-46(44)48(36)47(35)45)34-18-16-33(17-19-34)42-14-6-10-32-8-3-4-13-41(32)42;1-4-2-3-4;1-3-2;1-2;/h1-30H;4H,2-3H2,1H3;3H2,1-2H3;1-2H3;1H4.
What are the key properties of ethane;methane;methylcyclopropane;1-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)pyrene;propane?
ethane;methane;methylcyclopropane;1-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)pyrene;propane has a molecular weight of 753.09 g/mol, XLogP of 18.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;methylcyclopropane;1-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)pyrene;propane is sourced from PubChem (CID 143291513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).