benzene;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;naphthalene;N-phenyl-N-propan-2-ylaniline;3-phenyl-2-propan-2-yl-3H-indole;N-phenyl-N-propan-2-ylnaphthalen-1-amine;N-phenyl-N-propan-2-ylnaphthalen-2-amine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene

C165H187N9OS — CID 158225660

IUPACbenzene;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;naphthalene;N-phenyl-N-propan-2-ylaniline;3-phenyl-2-propan-2-yl-3H-indole;N-phenyl-N-propan-2-ylnaphthalen-1-amine;N-phenyl-N-propan-2-ylnaphthalen-2-amine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene
SMILESCC(C)C1=Nc2ccccc2C1c1ccccc1.CC(C)N(c1ccccc1)c1ccc2ccccc2c1.CC(C)N(c1ccccc1)c1cccc2ccccc12.CC(C)N(c1ccccc1)c1ccccc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1cnc(C(C)C)cn1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/2C19H19N.C17H17N.C15H17N.2C13H14.C12H18.C11H17N.C10H16N2.C10H11NO.C10H11NS.C10H8.C6H6/c1-15(2)20(17-11-4-3-5-12-17)19-14-8-10-16-9-6-7-13-18(16)19;1-15(2)20(18-10-4-3-5-11-18)19-13-12-16-8-6-7-9-17(16)14-19;1-12(2)17-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)18-17;1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1/h2*3-15H,1-2H3;3-12,16H,1-2H3;3-13H,1-2H3;2*3-10H,1-2H3;5-10H,1-4H3;5-9H,1-4H3;5-8H,1-4H3;2*3-7H,1-2H3;1-8H;1-6H
InChIKeyGDTPCCFZTFJHAR-UHFFFAOYSA-N
MW2344.44 g/mol
LogP48.38
Rot. Bonds21

About benzene;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;naphthalene;N-phenyl-N-propan-2-ylaniline;3-phenyl-2-propan-2-yl-3H-indole;N-phenyl-N-propan-2-ylnaphthalen-1-amine;N-phenyl-N-propan-2-ylnaphthalen-2-amine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene

benzene;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;naphthalene;N-phenyl-N-propan-2-ylaniline;3-phenyl-2-propan-2-yl-3H-indole;N-phenyl-N-propan-2-ylnaphthalen-1-amine;N-phenyl-N-propan-2-ylnaphthalen-2-amine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene (PubChem CID 158225660) has the molecular formula C165H187N9OS and a molecular weight of 2344.44 g/mol. Its IUPAC name is benzene;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;naphthalene;N-phenyl-N-propan-2-ylaniline;3-phenyl-2-propan-2-yl-3H-indole;N-phenyl-N-propan-2-ylnaphthalen-1-amine;N-phenyl-N-propan-2-ylnaphthalen-2-amine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene.

Molecular Properties

Compound Namebenzene;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;naphthalene;N-phenyl-N-propan-2-ylaniline;3-phenyl-2-propan-2-yl-3H-indole;N-phenyl-N-propan-2-ylnaphthalen-1-amine;N-phenyl-N-propan-2-ylnaphthalen-2-amine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene
PubChem CID158225660
Molecular FormulaC165H187N9OS
Molecular Weight2344.44 g/mol
Exact Mass2342.46
IUPAC Namebenzene;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;naphthalene;N-phenyl-N-propan-2-ylaniline;3-phenyl-2-propan-2-yl-3H-indole;N-phenyl-N-propan-2-ylnaphthalen-1-amine;N-phenyl-N-propan-2-ylnaphthalen-2-amine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene
SMILESCC(C)C1=Nc2ccccc2C1c1ccccc1.CC(C)N(c1ccccc1)c1ccc2ccccc2c1.CC(C)N(c1ccccc1)c1cccc2ccccc12.CC(C)N(c1ccccc1)c1ccccc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1cnc(C(C)C)cn1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/2C19H19N.C17H17N.C15H17N.2C13H14.C12H18.C11H17N.C10H16N2.C10H11NO.C10H11NS.C10H8.C6H6/c1-15(2)20(17-11-4-3-5-12-17)19-14-8-10-16-9-6-7-13-18(16)19;1-15(2)20(18-10-4-3-5-11-18)19-13-12-16-8-6-7-9-17(16)14-19;1-12(2)17-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)18-17;1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1/h2*3-15H,1-2H3;3-12,16H,1-2H3;3-13H,1-2H3;2*3-10H,1-2H3;5-10H,1-4H3;5-9H,1-4H3;5-8H,1-4H3;2*3-7H,1-2H3;1-8H;1-6H
InChIKeyGDTPCCFZTFJHAR-UHFFFAOYSA-N
XLogP48.38
TPSA99.67 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002344.44
LogP ≤ 548.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze benzene;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;naphthalene;N-phenyl-N-propan-2-ylaniline;3-phenyl-2-propan-2-yl-3H-indole;N-phenyl-N-propan-2-ylnaphthalen-1-amine;N-phenyl-N-propan-2-ylnaphthalen-2-amine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;naphthalene;N-phenyl-N-propan-2-ylaniline;3-phenyl-2-propan-2-yl-3H-indole;N-phenyl-N-propan-2-ylnaphthalen-1-amine;N-phenyl-N-propan-2-ylnaphthalen-2-amine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene?
The IUPAC name of benzene;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;naphthalene;N-phenyl-N-propan-2-ylaniline;3-phenyl-2-propan-2-yl-3H-indole;N-phenyl-N-propan-2-ylnaphthalen-1-amine;N-phenyl-N-propan-2-ylnaphthalen-2-amine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene (CID 158225660) is benzene;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;naphthalene;N-phenyl-N-propan-2-ylaniline;3-phenyl-2-propan-2-yl-3H-indole;N-phenyl-N-propan-2-ylnaphthalen-1-amine;N-phenyl-N-propan-2-ylnaphthalen-2-amine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene.
What is the SMILES notation for benzene;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;naphthalene;N-phenyl-N-propan-2-ylaniline;3-phenyl-2-propan-2-yl-3H-indole;N-phenyl-N-propan-2-ylnaphthalen-1-amine;N-phenyl-N-propan-2-ylnaphthalen-2-amine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene?
The canonical SMILES for benzene;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;naphthalene;N-phenyl-N-propan-2-ylaniline;3-phenyl-2-propan-2-yl-3H-indole;N-phenyl-N-propan-2-ylnaphthalen-1-amine;N-phenyl-N-propan-2-ylnaphthalen-2-amine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene is CC(C)C1=Nc2ccccc2C1c1ccccc1.CC(C)N(c1ccccc1)c1ccc2ccccc2c1.CC(C)N(c1ccccc1)c1cccc2ccccc12.CC(C)N(c1ccccc1)c1ccccc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1cnc(C(C)C)cn1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of benzene;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;naphthalene;N-phenyl-N-propan-2-ylaniline;3-phenyl-2-propan-2-yl-3H-indole;N-phenyl-N-propan-2-ylnaphthalen-1-amine;N-phenyl-N-propan-2-ylnaphthalen-2-amine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene?
The InChIKey is GDTPCCFZTFJHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H19N.C17H17N.C15H17N.2C13H14.C12H18.C11H17N.C10H16N2.C10H11NO.C10H11NS.C10H8.C6H6/c1-15(2)20(17-11-4-3-5-12-17)19-14-8-10-16-9-6-7-13-18(16)19;1-15(2)20(18-10-4-3-5-11-18)19-13-12-16-8-6-7-9-17(16)14-19;1-12(2)17-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)18-17;1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1/h2*3-15H,1-2H3;3-12,16H,1-2H3;3-13H,1-2H3;2*3-10H,1-2H3;5-10H,1-4H3;5-9H,1-4H3;5-8H,1-4H3;2*3-7H,1-2H3;1-8H;1-6H.
What are the key properties of benzene;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;naphthalene;N-phenyl-N-propan-2-ylaniline;3-phenyl-2-propan-2-yl-3H-indole;N-phenyl-N-propan-2-ylnaphthalen-1-amine;N-phenyl-N-propan-2-ylnaphthalen-2-amine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene?
benzene;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;naphthalene;N-phenyl-N-propan-2-ylaniline;3-phenyl-2-propan-2-yl-3H-indole;N-phenyl-N-propan-2-ylnaphthalen-1-amine;N-phenyl-N-propan-2-ylnaphthalen-2-amine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene has a molecular weight of 2344.44 g/mol, XLogP of 48.38, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;2,5-di(propan-2-yl)pyridine;naphthalene;N-phenyl-N-propan-2-ylaniline;3-phenyl-2-propan-2-yl-3H-indole;N-phenyl-N-propan-2-ylnaphthalen-1-amine;N-phenyl-N-propan-2-ylnaphthalen-2-amine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene is sourced from PubChem (CID 158225660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).