4-tert-butyl-N,N-diphenylaniline;1-tert-butyl-4-(2,2-diphenylethenyl)benzene;tert-butyl(diphenyl)phosphane;2-tert-butyl-6-methoxynaphthalene;1-tert-butyl-3-methylbenzene;N-(4-tert-butylphenyl)-N-pyridin-2-ylpyridin-2-amine;2-tert-butyl-5-phenylthiophene;2-tert-butylpyridine;3-tert-butylpyridine;3-tert-butylthiophene;2-tert-butyl-5-thiophen-2-ylthiophene;4-(5-tert-butylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole;1-tert-butyl-4-(1,2,2-triphenylethenyl)benzene

C208H233N8OPS7 — CID 159573271

IUPAC4-tert-butyl-N,N-diphenylaniline;1-tert-butyl-4-(2,2-diphenylethenyl)benzene;tert-butyl(diphenyl)phosphane;2-tert-butyl-6-methoxynaphthalene;1-tert-butyl-3-methylbenzene;N-(4-tert-butylphenyl)-N-pyridin-2-ylpyridin-2-amine;2-tert-butyl-5-phenylthiophene;2-tert-butylpyridine;3-tert-butylpyridine;3-tert-butylthiophene;2-tert-butyl-5-thiophen-2-ylthiophene;4-(5-tert-butylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole;1-tert-butyl-4-(1,2,2-triphenylethenyl)benzene
SMILESCC(C)(C)P(c1ccccc1)c1ccccc1.CC(C)(C)c1ccc(-c2ccc(-c3cccs3)c3nsnc23)s1.CC(C)(C)c1ccc(-c2ccccc2)s1.CC(C)(C)c1ccc(-c2cccs2)s1.CC(C)(C)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc(C=C(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc(N(c2ccccn2)c2ccccn2)cc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccsc1.COc1ccc2cc(C(C)(C)C)ccc2c1.Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C30H28.C24H24.C22H23N.C20H21N3.C18H16N2S3.C16H19P.C15H18O.C14H16S.C12H14S2.C11H16.2C9H13N.C8H12S/c1-30(2,3)27-21-19-26(20-22-27)29(25-17-11-6-12-18-25)28(23-13-7-4-8-14-23)24-15-9-5-10-16-24;1-24(2,3)22-16-14-19(15-17-22)18-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-20(2,3)16-10-12-17(13-11-16)23(18-8-4-6-14-21-18)19-9-5-7-15-22-19;1-18(2,3)15-9-8-14(22-15)12-7-6-11(13-5-4-10-21-13)16-17(12)20-23-19-16;1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-15(2,3)13-7-5-12-10-14(16-4)8-6-11(12)9-13;1-14(2,3)13-10-9-12(15-13)11-7-5-4-6-8-11;1-12(2,3)11-7-6-10(14-11)9-5-4-8-13-9;1-9-6-5-7-10(8-9)11(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-5-9-6-7/h4-22H,1-3H3;4-18H,1-3H3;4-17H,1-3H3;4-15H,1-3H3;4-10H,1-3H3;4-13H,1-3H3;5-10H,1-4H3;4-10H,1-3H3;4-8H,1-3H3;5-8H,1-4H3;2*4-7H,1-3H3;4-6H,1-3H3
InChIKeyMIBWKMPXPURXKX-UHFFFAOYSA-N
MW3116.65 g/mol
LogP61.35
Rot. Bonds20

About 4-tert-butyl-N,N-diphenylaniline;1-tert-butyl-4-(2,2-diphenylethenyl)benzene;tert-butyl(diphenyl)phosphane;2-tert-butyl-6-methoxynaphthalene;1-tert-butyl-3-methylbenzene;N-(4-tert-butylphenyl)-N-pyridin-2-ylpyridin-2-amine;2-tert-butyl-5-phenylthiophene;2-tert-butylpyridine;3-tert-butylpyridine;3-tert-butylthiophene;2-tert-butyl-5-thiophen-2-ylthiophene;4-(5-tert-butylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole;1-tert-butyl-4-(1,2,2-triphenylethenyl)benzene

4-tert-butyl-N,N-diphenylaniline;1-tert-butyl-4-(2,2-diphenylethenyl)benzene;tert-butyl(diphenyl)phosphane;2-tert-butyl-6-methoxynaphthalene;1-tert-butyl-3-methylbenzene;N-(4-tert-butylphenyl)-N-pyridin-2-ylpyridin-2-amine;2-tert-butyl-5-phenylthiophene;2-tert-butylpyridine;3-tert-butylpyridine;3-tert-butylthiophene;2-tert-butyl-5-thiophen-2-ylthiophene;4-(5-tert-butylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole;1-tert-butyl-4-(1,2,2-triphenylethenyl)benzene (PubChem CID 159573271) has the molecular formula C208H233N8OPS7 and a molecular weight of 3116.65 g/mol. Its IUPAC name is 4-tert-butyl-N,N-diphenylaniline;1-tert-butyl-4-(2,2-diphenylethenyl)benzene;tert-butyl(diphenyl)phosphane;2-tert-butyl-6-methoxynaphthalene;1-tert-butyl-3-methylbenzene;N-(4-tert-butylphenyl)-N-pyridin-2-ylpyridin-2-amine;2-tert-butyl-5-phenylthiophene;2-tert-butylpyridine;3-tert-butylpyridine;3-tert-butylthiophene;2-tert-butyl-5-thiophen-2-ylthiophene;4-(5-tert-butylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole;1-tert-butyl-4-(1,2,2-triphenylethenyl)benzene.

Molecular Properties

Compound Name4-tert-butyl-N,N-diphenylaniline;1-tert-butyl-4-(2,2-diphenylethenyl)benzene;tert-butyl(diphenyl)phosphane;2-tert-butyl-6-methoxynaphthalene;1-tert-butyl-3-methylbenzene;N-(4-tert-butylphenyl)-N-pyridin-2-ylpyridin-2-amine;2-tert-butyl-5-phenylthiophene;2-tert-butylpyridine;3-tert-butylpyridine;3-tert-butylthiophene;2-tert-butyl-5-thiophen-2-ylthiophene;4-(5-tert-butylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole;1-tert-butyl-4-(1,2,2-triphenylethenyl)benzene
PubChem CID159573271
Molecular FormulaC208H233N8OPS7
Molecular Weight3116.65 g/mol
Exact Mass3113.62
IUPAC Name4-tert-butyl-N,N-diphenylaniline;1-tert-butyl-4-(2,2-diphenylethenyl)benzene;tert-butyl(diphenyl)phosphane;2-tert-butyl-6-methoxynaphthalene;1-tert-butyl-3-methylbenzene;N-(4-tert-butylphenyl)-N-pyridin-2-ylpyridin-2-amine;2-tert-butyl-5-phenylthiophene;2-tert-butylpyridine;3-tert-butylpyridine;3-tert-butylthiophene;2-tert-butyl-5-thiophen-2-ylthiophene;4-(5-tert-butylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole;1-tert-butyl-4-(1,2,2-triphenylethenyl)benzene
SMILESCC(C)(C)P(c1ccccc1)c1ccccc1.CC(C)(C)c1ccc(-c2ccc(-c3cccs3)c3nsnc23)s1.CC(C)(C)c1ccc(-c2ccccc2)s1.CC(C)(C)c1ccc(-c2cccs2)s1.CC(C)(C)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc(C=C(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc(N(c2ccccn2)c2ccccn2)cc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccsc1.COc1ccc2cc(C(C)(C)C)ccc2c1.Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C30H28.C24H24.C22H23N.C20H21N3.C18H16N2S3.C16H19P.C15H18O.C14H16S.C12H14S2.C11H16.2C9H13N.C8H12S/c1-30(2,3)27-21-19-26(20-22-27)29(25-17-11-6-12-18-25)28(23-13-7-4-8-14-23)24-15-9-5-10-16-24;1-24(2,3)22-16-14-19(15-17-22)18-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-20(2,3)16-10-12-17(13-11-16)23(18-8-4-6-14-21-18)19-9-5-7-15-22-19;1-18(2,3)15-9-8-14(22-15)12-7-6-11(13-5-4-10-21-13)16-17(12)20-23-19-16;1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-15(2,3)13-7-5-12-10-14(16-4)8-6-11(12)9-13;1-14(2,3)13-10-9-12(15-13)11-7-5-4-6-8-11;1-12(2,3)11-7-6-10(14-11)9-5-4-8-13-9;1-9-6-5-7-10(8-9)11(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-5-9-6-7/h4-22H,1-3H3;4-18H,1-3H3;4-17H,1-3H3;4-15H,1-3H3;4-10H,1-3H3;4-13H,1-3H3;5-10H,1-4H3;4-10H,1-3H3;4-8H,1-3H3;5-8H,1-4H3;2*4-7H,1-3H3;4-6H,1-3H3
InChIKeyMIBWKMPXPURXKX-UHFFFAOYSA-N
XLogP61.35
TPSA93.05 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003116.65
LogP ≤ 561.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N,N-diphenylaniline;1-tert-butyl-4-(2,2-diphenylethenyl)benzene;tert-butyl(diphenyl)phosphane;2-tert-butyl-6-methoxynaphthalene;1-tert-butyl-3-methylbenzene;N-(4-tert-butylphenyl)-N-pyridin-2-ylpyridin-2-amine;2-tert-butyl-5-phenylthiophene;2-tert-butylpyridine;3-tert-butylpyridine;3-tert-butylthiophene;2-tert-butyl-5-thiophen-2-ylthiophene;4-(5-tert-butylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole;1-tert-butyl-4-(1,2,2-triphenylethenyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-diphenylaniline;1-tert-butyl-4-(2,2-diphenylethenyl)benzene;tert-butyl(diphenyl)phosphane;2-tert-butyl-6-methoxynaphthalene;1-tert-butyl-3-methylbenzene;N-(4-tert-butylphenyl)-N-pyridin-2-ylpyridin-2-amine;2-tert-butyl-5-phenylthiophene;2-tert-butylpyridine;3-tert-butylpyridine;3-tert-butylthiophene;2-tert-butyl-5-thiophen-2-ylthiophene;4-(5-tert-butylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole;1-tert-butyl-4-(1,2,2-triphenylethenyl)benzene?
The IUPAC name of 4-tert-butyl-N,N-diphenylaniline;1-tert-butyl-4-(2,2-diphenylethenyl)benzene;tert-butyl(diphenyl)phosphane;2-tert-butyl-6-methoxynaphthalene;1-tert-butyl-3-methylbenzene;N-(4-tert-butylphenyl)-N-pyridin-2-ylpyridin-2-amine;2-tert-butyl-5-phenylthiophene;2-tert-butylpyridine;3-tert-butylpyridine;3-tert-butylthiophene;2-tert-butyl-5-thiophen-2-ylthiophene;4-(5-tert-butylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole;1-tert-butyl-4-(1,2,2-triphenylethenyl)benzene (CID 159573271) is 4-tert-butyl-N,N-diphenylaniline;1-tert-butyl-4-(2,2-diphenylethenyl)benzene;tert-butyl(diphenyl)phosphane;2-tert-butyl-6-methoxynaphthalene;1-tert-butyl-3-methylbenzene;N-(4-tert-butylphenyl)-N-pyridin-2-ylpyridin-2-amine;2-tert-butyl-5-phenylthiophene;2-tert-butylpyridine;3-tert-butylpyridine;3-tert-butylthiophene;2-tert-butyl-5-thiophen-2-ylthiophene;4-(5-tert-butylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole;1-tert-butyl-4-(1,2,2-triphenylethenyl)benzene.
What is the SMILES notation for 4-tert-butyl-N,N-diphenylaniline;1-tert-butyl-4-(2,2-diphenylethenyl)benzene;tert-butyl(diphenyl)phosphane;2-tert-butyl-6-methoxynaphthalene;1-tert-butyl-3-methylbenzene;N-(4-tert-butylphenyl)-N-pyridin-2-ylpyridin-2-amine;2-tert-butyl-5-phenylthiophene;2-tert-butylpyridine;3-tert-butylpyridine;3-tert-butylthiophene;2-tert-butyl-5-thiophen-2-ylthiophene;4-(5-tert-butylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole;1-tert-butyl-4-(1,2,2-triphenylethenyl)benzene?
The canonical SMILES for 4-tert-butyl-N,N-diphenylaniline;1-tert-butyl-4-(2,2-diphenylethenyl)benzene;tert-butyl(diphenyl)phosphane;2-tert-butyl-6-methoxynaphthalene;1-tert-butyl-3-methylbenzene;N-(4-tert-butylphenyl)-N-pyridin-2-ylpyridin-2-amine;2-tert-butyl-5-phenylthiophene;2-tert-butylpyridine;3-tert-butylpyridine;3-tert-butylthiophene;2-tert-butyl-5-thiophen-2-ylthiophene;4-(5-tert-butylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole;1-tert-butyl-4-(1,2,2-triphenylethenyl)benzene is CC(C)(C)P(c1ccccc1)c1ccccc1.CC(C)(C)c1ccc(-c2ccc(-c3cccs3)c3nsnc23)s1.CC(C)(C)c1ccc(-c2ccccc2)s1.CC(C)(C)c1ccc(-c2cccs2)s1.CC(C)(C)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc(C=C(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc(N(c2ccccn2)c2ccccn2)cc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccsc1.COc1ccc2cc(C(C)(C)C)ccc2c1.Cc1cccc(C(C)(C)C)c1.
What is the InChIKey of 4-tert-butyl-N,N-diphenylaniline;1-tert-butyl-4-(2,2-diphenylethenyl)benzene;tert-butyl(diphenyl)phosphane;2-tert-butyl-6-methoxynaphthalene;1-tert-butyl-3-methylbenzene;N-(4-tert-butylphenyl)-N-pyridin-2-ylpyridin-2-amine;2-tert-butyl-5-phenylthiophene;2-tert-butylpyridine;3-tert-butylpyridine;3-tert-butylthiophene;2-tert-butyl-5-thiophen-2-ylthiophene;4-(5-tert-butylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole;1-tert-butyl-4-(1,2,2-triphenylethenyl)benzene?
The InChIKey is MIBWKMPXPURXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28.C24H24.C22H23N.C20H21N3.C18H16N2S3.C16H19P.C15H18O.C14H16S.C12H14S2.C11H16.2C9H13N.C8H12S/c1-30(2,3)27-21-19-26(20-22-27)29(25-17-11-6-12-18-25)28(23-13-7-4-8-14-23)24-15-9-5-10-16-24;1-24(2,3)22-16-14-19(15-17-22)18-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-20(2,3)16-10-12-17(13-11-16)23(18-8-4-6-14-21-18)19-9-5-7-15-22-19;1-18(2,3)15-9-8-14(22-15)12-7-6-11(13-5-4-10-21-13)16-17(12)20-23-19-16;1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-15(2,3)13-7-5-12-10-14(16-4)8-6-11(12)9-13;1-14(2,3)13-10-9-12(15-13)11-7-5-4-6-8-11;1-12(2,3)11-7-6-10(14-11)9-5-4-8-13-9;1-9-6-5-7-10(8-9)11(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-5-9-6-7/h4-22H,1-3H3;4-18H,1-3H3;4-17H,1-3H3;4-15H,1-3H3;4-10H,1-3H3;4-13H,1-3H3;5-10H,1-4H3;4-10H,1-3H3;4-8H,1-3H3;5-8H,1-4H3;2*4-7H,1-3H3;4-6H,1-3H3.
What are the key properties of 4-tert-butyl-N,N-diphenylaniline;1-tert-butyl-4-(2,2-diphenylethenyl)benzene;tert-butyl(diphenyl)phosphane;2-tert-butyl-6-methoxynaphthalene;1-tert-butyl-3-methylbenzene;N-(4-tert-butylphenyl)-N-pyridin-2-ylpyridin-2-amine;2-tert-butyl-5-phenylthiophene;2-tert-butylpyridine;3-tert-butylpyridine;3-tert-butylthiophene;2-tert-butyl-5-thiophen-2-ylthiophene;4-(5-tert-butylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole;1-tert-butyl-4-(1,2,2-triphenylethenyl)benzene?
4-tert-butyl-N,N-diphenylaniline;1-tert-butyl-4-(2,2-diphenylethenyl)benzene;tert-butyl(diphenyl)phosphane;2-tert-butyl-6-methoxynaphthalene;1-tert-butyl-3-methylbenzene;N-(4-tert-butylphenyl)-N-pyridin-2-ylpyridin-2-amine;2-tert-butyl-5-phenylthiophene;2-tert-butylpyridine;3-tert-butylpyridine;3-tert-butylthiophene;2-tert-butyl-5-thiophen-2-ylthiophene;4-(5-tert-butylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole;1-tert-butyl-4-(1,2,2-triphenylethenyl)benzene has a molecular weight of 3116.65 g/mol, XLogP of 61.35, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-diphenylaniline;1-tert-butyl-4-(2,2-diphenylethenyl)benzene;tert-butyl(diphenyl)phosphane;2-tert-butyl-6-methoxynaphthalene;1-tert-butyl-3-methylbenzene;N-(4-tert-butylphenyl)-N-pyridin-2-ylpyridin-2-amine;2-tert-butyl-5-phenylthiophene;2-tert-butylpyridine;3-tert-butylpyridine;3-tert-butylthiophene;2-tert-butyl-5-thiophen-2-ylthiophene;4-(5-tert-butylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole;1-tert-butyl-4-(1,2,2-triphenylethenyl)benzene is sourced from PubChem (CID 159573271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).