1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene;ethane;bis(1-methylnaphthalene);1-(naphthalen-1-ylmethyl)naphthalene;propane;toluene

C98H124 — CID 158508625

IUPAC1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene;ethane;bis(1-methylnaphthalene);1-(naphthalen-1-ylmethyl)naphthalene;propane;toluene
SMILESCC.CC.CC.CC.CC.CCC.CCC.Cc1ccc(C(C)(C)c2ccc(C(C)(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.Cc1cccc2ccccc12.Cc1cccc2ccccc12.Cc1ccccc1.c1ccc2c(Cc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C32H34.C21H16.2C11H10.C7H8.2C3H8.5C2H6/c1-23-7-13-26(14-8-23)31(4,5)27-19-21-30(22-20-27)32(6,28-15-9-24(2)10-16-28)29-17-11-25(3)12-18-29;1-3-13-20-16(7-1)9-5-11-18(20)15-19-12-6-10-17-8-2-4-14-21(17)19;2*1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-5-3-2-4-6-7;2*1-3-2;5*1-2/h7-22H,1-6H3;1-14H,15H2;2*2-8H,1H3;2-6H,1H3;2*3H2,1-2H3;5*1-2H3
InChIKeyHKTRVTZDYNRSQE-UHFFFAOYSA-N
MW1302.07 g/mol
LogP30.13
Rot. Bonds7

About 1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene;ethane;bis(1-methylnaphthalene);1-(naphthalen-1-ylmethyl)naphthalene;propane;toluene

1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene;ethane;bis(1-methylnaphthalene);1-(naphthalen-1-ylmethyl)naphthalene;propane;toluene (PubChem CID 158508625) has the molecular formula C98H124 and a molecular weight of 1302.07 g/mol. Its IUPAC name is 1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene;ethane;bis(1-methylnaphthalene);1-(naphthalen-1-ylmethyl)naphthalene;propane;toluene.

Molecular Properties

Compound Name1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene;ethane;bis(1-methylnaphthalene);1-(naphthalen-1-ylmethyl)naphthalene;propane;toluene
PubChem CID158508625
Molecular FormulaC98H124
Molecular Weight1302.07 g/mol
Exact Mass1300.97
IUPAC Name1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene;ethane;bis(1-methylnaphthalene);1-(naphthalen-1-ylmethyl)naphthalene;propane;toluene
SMILESCC.CC.CC.CC.CC.CCC.CCC.Cc1ccc(C(C)(C)c2ccc(C(C)(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.Cc1cccc2ccccc12.Cc1cccc2ccccc12.Cc1ccccc1.c1ccc2c(Cc3cccc4ccccc34)cccc2c1
InChIInChI=1S/C32H34.C21H16.2C11H10.C7H8.2C3H8.5C2H6/c1-23-7-13-26(14-8-23)31(4,5)27-19-21-30(22-20-27)32(6,28-15-9-24(2)10-16-28)29-17-11-25(3)12-18-29;1-3-13-20-16(7-1)9-5-11-18(20)15-19-12-6-10-17-8-2-4-14-21(17)19;2*1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-5-3-2-4-6-7;2*1-3-2;5*1-2/h7-22H,1-6H3;1-14H,15H2;2*2-8H,1H3;2-6H,1H3;2*3H2,1-2H3;5*1-2H3
InChIKeyHKTRVTZDYNRSQE-UHFFFAOYSA-N
XLogP30.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001302.07
LogP ≤ 530.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene;ethane;bis(1-methylnaphthalene);1-(naphthalen-1-ylmethyl)naphthalene;propane;toluene with MolForge

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Related Compounds

ethane;methane;bis(1-methylnaphthalene);propane;toluene
CID 160954543
ethane;1-methylnaphthalene;toluene
CID 91013579
anthracene;tris(1,1'-biphenyl);ethane;1-methylnaphthalene;phenanthrene;toluene
CID 161034460
1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 20734477
1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene
CID 123365008
carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)
CID 158669660
acetylene;ethane;1-methylnaphthalene
CID 167495690
CID 66760372
CID 66760372
ethane;naphthalene;propane;toluene
CID 91119516
ethane;naphthalene;propane;toluene
CID 159937735
phenanthrene;toluene
CID 158347700
1-methyl-5-[(4-methylphenyl)methyl]naphthalene
CID 18684384

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene;ethane;bis(1-methylnaphthalene);1-(naphthalen-1-ylmethyl)naphthalene;propane;toluene?
The IUPAC name of 1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene;ethane;bis(1-methylnaphthalene);1-(naphthalen-1-ylmethyl)naphthalene;propane;toluene (CID 158508625) is 1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene;ethane;bis(1-methylnaphthalene);1-(naphthalen-1-ylmethyl)naphthalene;propane;toluene.
What is the SMILES notation for 1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene;ethane;bis(1-methylnaphthalene);1-(naphthalen-1-ylmethyl)naphthalene;propane;toluene?
The canonical SMILES for 1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene;ethane;bis(1-methylnaphthalene);1-(naphthalen-1-ylmethyl)naphthalene;propane;toluene is CC.CC.CC.CC.CC.CCC.CCC.Cc1ccc(C(C)(C)c2ccc(C(C)(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.Cc1cccc2ccccc12.Cc1cccc2ccccc12.Cc1ccccc1.c1ccc2c(Cc3cccc4ccccc34)cccc2c1.
What is the InChIKey of 1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene;ethane;bis(1-methylnaphthalene);1-(naphthalen-1-ylmethyl)naphthalene;propane;toluene?
The InChIKey is HKTRVTZDYNRSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34.C21H16.2C11H10.C7H8.2C3H8.5C2H6/c1-23-7-13-26(14-8-23)31(4,5)27-19-21-30(22-20-27)32(6,28-15-9-24(2)10-16-28)29-17-11-25(3)12-18-29;1-3-13-20-16(7-1)9-5-11-18(20)15-19-12-6-10-17-8-2-4-14-21(17)19;2*1-9-5-4-7-10-6-2-3-8-11(9)10;1-7-5-3-2-4-6-7;2*1-3-2;5*1-2/h7-22H,1-6H3;1-14H,15H2;2*2-8H,1H3;2-6H,1H3;2*3H2,1-2H3;5*1-2H3.
What are the key properties of 1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene;ethane;bis(1-methylnaphthalene);1-(naphthalen-1-ylmethyl)naphthalene;propane;toluene?
1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene;ethane;bis(1-methylnaphthalene);1-(naphthalen-1-ylmethyl)naphthalene;propane;toluene has a molecular weight of 1302.07 g/mol, XLogP of 30.13, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene;ethane;bis(1-methylnaphthalene);1-(naphthalen-1-ylmethyl)naphthalene;propane;toluene is sourced from PubChem (CID 158508625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).