pentadecakis(1,1'-biphenyl);ethane;methane;tetrakis(2-methylpropane);phenanthrene;bis(propan-2-ylcyclobutane);bis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);pyrene

C365H510 — CID 158291922

IUPACpentadecakis(1,1'-biphenyl);ethane;methane;tetrakis(2-methylpropane);phenanthrene;bis(propan-2-ylcyclobutane);bis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);pyrene
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1CCC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/2C16H10.2C14H10.15C12H10.2C9H18.2C8H16.2C7H14.4C4H10.30C2H6.CH4/c2*1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;15*1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-5-3-4-6-8;2*1-6(2)7-4-3-5-7;4*1-4(2)3;30*1-2;/h2*1-10H;2*1-10H;15*1-10H;2*8-9H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3;4*4H,1-3H3;30*1-2H3;1H4
InChIKeyGLLONTZPXDXLQI-UHFFFAOYSA-N
MW4898.10 g/mol
LogP122.52
Rot. Bonds21

About pentadecakis(1,1'-biphenyl);ethane;methane;tetrakis(2-methylpropane);phenanthrene;bis(propan-2-ylcyclobutane);bis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);pyrene

pentadecakis(1,1'-biphenyl);ethane;methane;tetrakis(2-methylpropane);phenanthrene;bis(propan-2-ylcyclobutane);bis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);pyrene (PubChem CID 158291922) has the molecular formula C365H510 and a molecular weight of 4898.10 g/mol. Its IUPAC name is pentadecakis(1,1'-biphenyl);ethane;methane;tetrakis(2-methylpropane);phenanthrene;bis(propan-2-ylcyclobutane);bis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);pyrene.

Molecular Properties

Compound Namepentadecakis(1,1'-biphenyl);ethane;methane;tetrakis(2-methylpropane);phenanthrene;bis(propan-2-ylcyclobutane);bis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);pyrene
PubChem CID158291922
Molecular FormulaC365H510
Molecular Weight4898.10 g/mol
Exact Mass4893.99
IUPAC Namepentadecakis(1,1'-biphenyl);ethane;methane;tetrakis(2-methylpropane);phenanthrene;bis(propan-2-ylcyclobutane);bis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);pyrene
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1CCC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/2C16H10.2C14H10.15C12H10.2C9H18.2C8H16.2C7H14.4C4H10.30C2H6.CH4/c2*1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;15*1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-5-3-4-6-8;2*1-6(2)7-4-3-5-7;4*1-4(2)3;30*1-2;/h2*1-10H;2*1-10H;15*1-10H;2*8-9H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3;4*4H,1-3H3;30*1-2H3;1H4
InChIKeyGLLONTZPXDXLQI-UHFFFAOYSA-N
XLogP122.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms365
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004898.10
LogP ≤ 5122.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze pentadecakis(1,1'-biphenyl);ethane;methane;tetrakis(2-methylpropane);phenanthrene;bis(propan-2-ylcyclobutane);bis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);pyrene with MolForge

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Frequently Asked Questions

What is the IUPAC name of pentadecakis(1,1'-biphenyl);ethane;methane;tetrakis(2-methylpropane);phenanthrene;bis(propan-2-ylcyclobutane);bis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);pyrene?
The IUPAC name of pentadecakis(1,1'-biphenyl);ethane;methane;tetrakis(2-methylpropane);phenanthrene;bis(propan-2-ylcyclobutane);bis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);pyrene (CID 158291922) is pentadecakis(1,1'-biphenyl);ethane;methane;tetrakis(2-methylpropane);phenanthrene;bis(propan-2-ylcyclobutane);bis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);pyrene.
What is the SMILES notation for pentadecakis(1,1'-biphenyl);ethane;methane;tetrakis(2-methylpropane);phenanthrene;bis(propan-2-ylcyclobutane);bis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);pyrene?
The canonical SMILES for pentadecakis(1,1'-biphenyl);ethane;methane;tetrakis(2-methylpropane);phenanthrene;bis(propan-2-ylcyclobutane);bis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);pyrene is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1CCC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)ccc1ccccc12.
What is the InChIKey of pentadecakis(1,1'-biphenyl);ethane;methane;tetrakis(2-methylpropane);phenanthrene;bis(propan-2-ylcyclobutane);bis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);pyrene?
The InChIKey is GLLONTZPXDXLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H10.2C14H10.15C12H10.2C9H18.2C8H16.2C7H14.4C4H10.30C2H6.CH4/c2*1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;2*1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;15*1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-5-3-4-6-8;2*1-6(2)7-4-3-5-7;4*1-4(2)3;30*1-2;/h2*1-10H;2*1-10H;15*1-10H;2*8-9H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3;4*4H,1-3H3;30*1-2H3;1H4.
What are the key properties of pentadecakis(1,1'-biphenyl);ethane;methane;tetrakis(2-methylpropane);phenanthrene;bis(propan-2-ylcyclobutane);bis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);pyrene?
pentadecakis(1,1'-biphenyl);ethane;methane;tetrakis(2-methylpropane);phenanthrene;bis(propan-2-ylcyclobutane);bis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);pyrene has a molecular weight of 4898.10 g/mol, XLogP of 122.52, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecakis(1,1'-biphenyl);ethane;methane;tetrakis(2-methylpropane);phenanthrene;bis(propan-2-ylcyclobutane);bis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);pyrene is sourced from PubChem (CID 158291922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).