1-tert-butyl-4-diphenylphosphorylbenzene;2-(3-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(3-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1-phenylbenzimidazole;N-tert-butyl-2-phenyl-N-(2-phenylphenyl)aniline

C141H140N7O3PS2 — CID 157420502

IUPAC1-tert-butyl-4-diphenylphosphorylbenzene;2-(3-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(3-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1-phenylbenzimidazole;N-tert-butyl-2-phenyl-N-(2-phenylphenyl)aniline
SMILESCC(C)(C)N(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1.CC(C)(C)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nc3ccccc3o2)cc1.CC(C)(C)c1ccc(-c2nc3ccccc3s2)cc1.CC(C)(C)c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1cccc(-c2nc3ccccc3o2)c1.CC(C)(C)c1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C28H27N.C23H22N2.C22H23OP.2C17H17NO.2C17H17NS/c1-28(2,3)29(26-20-12-10-18-24(26)22-14-6-4-7-15-22)27-21-13-11-19-25(27)23-16-8-5-9-17-23;1-23(2,3)18-15-13-17(14-16-18)22-24-20-11-7-8-12-21(20)25(22)19-9-5-4-6-10-19;1-22(2,3)18-14-16-21(17-15-18)24(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-17(2,3)13-8-6-7-12(11-13)16-18-14-9-4-5-10-15(14)19-16;1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16;1-17(2,3)13-8-6-7-12(11-13)16-18-14-9-4-5-10-15(14)19-16;1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16/h4-21H,1-3H3;4-16H,1-3H3;4-17H,1-3H3;4*4-11H,1-3H3
InChIKeyBPIQOTMKGWFTSO-UHFFFAOYSA-N
MW2075.82 g/mol
LogP38.68
Rot. Bonds13

About 1-tert-butyl-4-diphenylphosphorylbenzene;2-(3-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(3-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1-phenylbenzimidazole;N-tert-butyl-2-phenyl-N-(2-phenylphenyl)aniline

1-tert-butyl-4-diphenylphosphorylbenzene;2-(3-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(3-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1-phenylbenzimidazole;N-tert-butyl-2-phenyl-N-(2-phenylphenyl)aniline (PubChem CID 157420502) has the molecular formula C141H140N7O3PS2 and a molecular weight of 2075.82 g/mol. Its IUPAC name is 1-tert-butyl-4-diphenylphosphorylbenzene;2-(3-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(3-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1-phenylbenzimidazole;N-tert-butyl-2-phenyl-N-(2-phenylphenyl)aniline.

Molecular Properties

Compound Name1-tert-butyl-4-diphenylphosphorylbenzene;2-(3-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(3-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1-phenylbenzimidazole;N-tert-butyl-2-phenyl-N-(2-phenylphenyl)aniline
PubChem CID157420502
Molecular FormulaC141H140N7O3PS2
Molecular Weight2075.82 g/mol
Exact Mass2074.02
IUPAC Name1-tert-butyl-4-diphenylphosphorylbenzene;2-(3-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(3-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1-phenylbenzimidazole;N-tert-butyl-2-phenyl-N-(2-phenylphenyl)aniline
SMILESCC(C)(C)N(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1.CC(C)(C)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nc3ccccc3o2)cc1.CC(C)(C)c1ccc(-c2nc3ccccc3s2)cc1.CC(C)(C)c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1cccc(-c2nc3ccccc3o2)c1.CC(C)(C)c1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C28H27N.C23H22N2.C22H23OP.2C17H17NO.2C17H17NS/c1-28(2,3)29(26-20-12-10-18-24(26)22-14-6-4-7-15-22)27-21-13-11-19-25(27)23-16-8-5-9-17-23;1-23(2,3)18-15-13-17(14-16-18)22-24-20-11-7-8-12-21(20)25(22)19-9-5-4-6-10-19;1-22(2,3)18-14-16-21(17-15-18)24(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-17(2,3)13-8-6-7-12(11-13)16-18-14-9-4-5-10-15(14)19-16;1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16;1-17(2,3)13-8-6-7-12(11-13)16-18-14-9-4-5-10-15(14)19-16;1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16/h4-21H,1-3H3;4-16H,1-3H3;4-17H,1-3H3;4*4-11H,1-3H3
InChIKeyBPIQOTMKGWFTSO-UHFFFAOYSA-N
XLogP38.68
TPSA115.97 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002075.82
LogP ≤ 538.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-4-diphenylphosphorylbenzene;2-(3-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(3-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1-phenylbenzimidazole;N-tert-butyl-2-phenyl-N-(2-phenylphenyl)aniline 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

tert-butylbenzene;bis(3,3-dimethylbutan-2-ylbenzene);2,2-dimethyl-1-phenylpropan-1-amine;2-(2,2-dimethyl-1-phenylpropyl)-1H-benzimidazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzothiazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzoxazole;2-(2,2-dimethyl-1-phenylpropyl)-3H-isoindol-1-one;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidine;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;2-[1-(2-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one;2-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one;2-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one
CID 160956842
2-[(E)-3-[6-[[4-[(E)-3-[6-[[4-[(E)-3-(1,3-benzoxazol-2-yl)prop-1-enyl]-2,5-dihydroxy-3,6-dimethylphenyl]methyl]-1,3-benzothiazol-2-yl]prop-1-enyl]-2,5-dihydroxy-3,6-dimethylphenyl]methyl]-1-methylbenzimidazol-2-yl]prop-1-enyl]-3,5,6-trimethylbenzene-1,4-diol
CID 123175298
2-[8-[12-(1,3-Benzothiazol-2-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-2-[12-(1-methylbenzimidazol-2-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole
CID 130369561
2-[9-[5-[1-[3-[12-(1-Phenylbenzimidazol-2-yl)-[1]benzothiolo[3,2-a]carbazol-4-yl]phenyl]benzimidazol-2-yl]-[1]benzothiolo[3,2-c]carbazol-9-yl]-[1]benzothiolo[2,3-b]carbazol-7-yl]-1,3-benzoxazole
CID 130369565
2-[3-[6-[[4-[3-[6-[[4-[3-(1,3-Benzoxazol-2-yl)propyl]-2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]methyl]-1,3-benzothiazol-2-yl]propyl]-2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]methyl]-1-methylbenzimidazol-2-yl]propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
CID 137507099
2-[2-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-yl)-3-(1-benzothiophen-2-yl)-1-naphthalen-1-yl-3,4-dihydronaphthalen-2-yl]-1,3-benzoxazole
CID 140981320
2-[2-(1H-benzimidazol-2-yl)-5-(1,2,3-benzothiadiazol-4-yl)-6-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylphenyl]-1,3-benzoxazole
CID 141036240
N-(1H-benzimidazol-2-yl)-N-[2-(1,3-benzoxazol-2-yl)-9H-carbazol-1-yl]-1,3-benzothiazol-2-amine
CID 141099358
2-[8-[2-([1]Benzothiolo[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-[1]benzothiolo[3,2-b]carbazol-11-yl]-5-[11-(1-methylbenzimidazol-2-yl)-[1]benzothiolo[3,2-b]carbazol-8-yl]-1,3-benzoxazole
CID 146407185
8-[2-([1]Benzofuro[3,2-b]carbazol-11-yl)-1,3-benzothiazol-5-yl]-11-[5-[11-(1-methylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-1,3-benzoxazol-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 146407252
8-[9-[9-[2-[2-(Benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]-4-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 146632847
2-[9-[4-[4-(1,3-Benzothiazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3-benzoxazole
CID 147195870

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-diphenylphosphorylbenzene;2-(3-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(3-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1-phenylbenzimidazole;N-tert-butyl-2-phenyl-N-(2-phenylphenyl)aniline?
The IUPAC name of 1-tert-butyl-4-diphenylphosphorylbenzene;2-(3-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(3-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1-phenylbenzimidazole;N-tert-butyl-2-phenyl-N-(2-phenylphenyl)aniline (CID 157420502) is 1-tert-butyl-4-diphenylphosphorylbenzene;2-(3-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(3-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1-phenylbenzimidazole;N-tert-butyl-2-phenyl-N-(2-phenylphenyl)aniline.
What is the SMILES notation for 1-tert-butyl-4-diphenylphosphorylbenzene;2-(3-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(3-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1-phenylbenzimidazole;N-tert-butyl-2-phenyl-N-(2-phenylphenyl)aniline?
The canonical SMILES for 1-tert-butyl-4-diphenylphosphorylbenzene;2-(3-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(3-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1-phenylbenzimidazole;N-tert-butyl-2-phenyl-N-(2-phenylphenyl)aniline is CC(C)(C)N(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1.CC(C)(C)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nc3ccccc3o2)cc1.CC(C)(C)c1ccc(-c2nc3ccccc3s2)cc1.CC(C)(C)c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1cccc(-c2nc3ccccc3o2)c1.CC(C)(C)c1cccc(-c2nc3ccccc3s2)c1.
What is the InChIKey of 1-tert-butyl-4-diphenylphosphorylbenzene;2-(3-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(3-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1-phenylbenzimidazole;N-tert-butyl-2-phenyl-N-(2-phenylphenyl)aniline?
The InChIKey is BPIQOTMKGWFTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N.C23H22N2.C22H23OP.2C17H17NO.2C17H17NS/c1-28(2,3)29(26-20-12-10-18-24(26)22-14-6-4-7-15-22)27-21-13-11-19-25(27)23-16-8-5-9-17-23;1-23(2,3)18-15-13-17(14-16-18)22-24-20-11-7-8-12-21(20)25(22)19-9-5-4-6-10-19;1-22(2,3)18-14-16-21(17-15-18)24(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-17(2,3)13-8-6-7-12(11-13)16-18-14-9-4-5-10-15(14)19-16;1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16;1-17(2,3)13-8-6-7-12(11-13)16-18-14-9-4-5-10-15(14)19-16;1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16/h4-21H,1-3H3;4-16H,1-3H3;4-17H,1-3H3;4*4-11H,1-3H3.
What are the key properties of 1-tert-butyl-4-diphenylphosphorylbenzene;2-(3-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(3-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1-phenylbenzimidazole;N-tert-butyl-2-phenyl-N-(2-phenylphenyl)aniline?
1-tert-butyl-4-diphenylphosphorylbenzene;2-(3-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(3-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1-phenylbenzimidazole;N-tert-butyl-2-phenyl-N-(2-phenylphenyl)aniline has a molecular weight of 2075.82 g/mol, XLogP of 38.68, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-diphenylphosphorylbenzene;2-(3-tert-butylphenyl)-1,3-benzothiazole;2-(4-tert-butylphenyl)-1,3-benzothiazole;2-(3-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1,3-benzoxazole;2-(4-tert-butylphenyl)-1-phenylbenzimidazole;N-tert-butyl-2-phenyl-N-(2-phenylphenyl)aniline is sourced from PubChem (CID 157420502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).