benzene;benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;cyclohexane;cyclohexylmethylcyclohexane;ethylbenzene;methanamine;methane;methanediamine

C101H174N14 — CID 160907613

IUPACbenzene;benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;cyclohexane;cyclohexylmethylcyclohexane;ethylbenzene;methanamine;methane;methanediamine
SMILESC.C1CCC(CC2CCCCC2)CC1.C1CCCCC1.CCc1ccccc1.CCc1ccccc1.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.NCN.c1ccc(Cc2ccc(Cc3ccc(Cc4ccccc4)cc3)cc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C27H24.C13H24.C13H12.2C8H10.C6H12.2C6H6.CH6N2.12CH5N.CH4/c1-3-7-22(8-4-1)19-24-11-15-26(16-12-24)21-27-17-13-25(14-18-27)20-23-9-5-2-6-10-23;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-2-8-6-4-3-5-7-8;3*1-2-4-6-5-3-1;2-1-3;12*1-2;/h1-18H,19-21H2;12-13H,1-11H2;1-10H,11H2;2*3-7H,2H2,1H3;1-6H2;2*1-6H;1-3H2;12*2H2,1H3;1H4
InChIKeySQIVQBIWRQREQE-UHFFFAOYSA-N
MW1584.60 g/mol
LogP18.88
Rot. Bonds12

About benzene;benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;cyclohexane;cyclohexylmethylcyclohexane;ethylbenzene;methanamine;methane;methanediamine

benzene;benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;cyclohexane;cyclohexylmethylcyclohexane;ethylbenzene;methanamine;methane;methanediamine (PubChem CID 160907613) has the molecular formula C101H174N14 and a molecular weight of 1584.60 g/mol. Its IUPAC name is benzene;benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;cyclohexane;cyclohexylmethylcyclohexane;ethylbenzene;methanamine;methane;methanediamine.

Molecular Properties

Compound Namebenzene;benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;cyclohexane;cyclohexylmethylcyclohexane;ethylbenzene;methanamine;methane;methanediamine
PubChem CID160907613
Molecular FormulaC101H174N14
Molecular Weight1584.60 g/mol
Exact Mass1583.40
IUPAC Namebenzene;benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;cyclohexane;cyclohexylmethylcyclohexane;ethylbenzene;methanamine;methane;methanediamine
SMILESC.C1CCC(CC2CCCCC2)CC1.C1CCCCC1.CCc1ccccc1.CCc1ccccc1.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.NCN.c1ccc(Cc2ccc(Cc3ccc(Cc4ccccc4)cc3)cc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C27H24.C13H24.C13H12.2C8H10.C6H12.2C6H6.CH6N2.12CH5N.CH4/c1-3-7-22(8-4-1)19-24-11-15-26(16-12-24)21-27-17-13-25(14-18-27)20-23-9-5-2-6-10-23;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-2-8-6-4-3-5-7-8;3*1-2-4-6-5-3-1;2-1-3;12*1-2;/h1-18H,19-21H2;12-13H,1-11H2;1-10H,11H2;2*3-7H,2H2,1H3;1-6H2;2*1-6H;1-3H2;12*2H2,1H3;1H4
InChIKeySQIVQBIWRQREQE-UHFFFAOYSA-N
XLogP18.88
TPSA364.28 Ų
H-Bond Donors14
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001584.60
LogP ≤ 518.88
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze benzene;benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;cyclohexane;cyclohexylmethylcyclohexane;ethylbenzene;methanamine;methane;methanediamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Bis(1,2,2-triphenylethenyl)benzene
CID 71341225
Benzene;1,1'-biphenyl;carbanide;ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);methanamine;propane;1,1,1-trifluoroethane;yttrium
CID 158523967
1-[[4-[Bis(4-methylphenyl)methylidene]-2,3-diphenylcyclobut-2-en-1-ylidene]-(4-methylphenyl)methyl]-4-methylbenzene
CID 14001802
[2.2.2.2.2]Paracyclophane
CID 15618973
[2.2.2.2.2.2.2.2]Paracyclophane
CID 15618975
1,4-Bis(1,6,6-triphenylhexa-1,2,3,4,5-pentaenyl)benzene
CID 86177878
1-[(E)-1,2-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]-4-(1,2,2-triphenylethenyl)benzene
CID 102365334
Tetrakis(4-(1-phenyl-2-(4-tolyl)vinyl)phenyl)stannane
CID 129826656
Decacyclo[32.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33]tetrapentaconta-1(36),6(52),7,9(51),10(50),11,13(49),14(48),15,17(47),18(46),19,21(45),23,26,28,30,32,34,37,39,41-docosaene
CID 134946896
1-(1,8,8-Triphenylocta-1,2,3,4,5,6,7-heptaenyl)-4-(1,8,8-triphenylocta-1,2,3,4,6,7-hexaenyl)benzene
CID 134976294
Nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2,6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),18,22,24,26,28,30,33,35,37-icosaene
CID 135020164
Nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819

Frequently Asked Questions

What is the IUPAC name of benzene;benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;cyclohexane;cyclohexylmethylcyclohexane;ethylbenzene;methanamine;methane;methanediamine?
The IUPAC name of benzene;benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;cyclohexane;cyclohexylmethylcyclohexane;ethylbenzene;methanamine;methane;methanediamine (CID 160907613) is benzene;benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;cyclohexane;cyclohexylmethylcyclohexane;ethylbenzene;methanamine;methane;methanediamine.
What is the SMILES notation for benzene;benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;cyclohexane;cyclohexylmethylcyclohexane;ethylbenzene;methanamine;methane;methanediamine?
The canonical SMILES for benzene;benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;cyclohexane;cyclohexylmethylcyclohexane;ethylbenzene;methanamine;methane;methanediamine is C.C1CCC(CC2CCCCC2)CC1.C1CCCCC1.CCc1ccccc1.CCc1ccccc1.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.NCN.c1ccc(Cc2ccc(Cc3ccc(Cc4ccccc4)cc3)cc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;cyclohexane;cyclohexylmethylcyclohexane;ethylbenzene;methanamine;methane;methanediamine?
The InChIKey is SQIVQBIWRQREQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24.C13H24.C13H12.2C8H10.C6H12.2C6H6.CH6N2.12CH5N.CH4/c1-3-7-22(8-4-1)19-24-11-15-26(16-12-24)21-27-17-13-25(14-18-27)20-23-9-5-2-6-10-23;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-2-8-6-4-3-5-7-8;3*1-2-4-6-5-3-1;2-1-3;12*1-2;/h1-18H,19-21H2;12-13H,1-11H2;1-10H,11H2;2*3-7H,2H2,1H3;1-6H2;2*1-6H;1-3H2;12*2H2,1H3;1H4.
What are the key properties of benzene;benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;cyclohexane;cyclohexylmethylcyclohexane;ethylbenzene;methanamine;methane;methanediamine?
benzene;benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;cyclohexane;cyclohexylmethylcyclohexane;ethylbenzene;methanamine;methane;methanediamine has a molecular weight of 1584.60 g/mol, XLogP of 18.88, 12 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;cyclohexane;cyclohexylmethylcyclohexane;ethylbenzene;methanamine;methane;methanediamine is sourced from PubChem (CID 160907613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).