tert-butylbenzene;9-tert-butylcarbazole;4-tert-butyldibenzofuran;4-tert-butyldibenzothiophene;4-tert-butyl-N,N-diphenylaniline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;N-tert-butyl-N-phenylaniline;1-tert-butyl-4-phenylbenzene;9-(4-tert-butylphenyl)carbazole;1-tert-butyl-4-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N,N-diphenylaniline;2,2-dimethylpropane;methane

C217H245N5OS — CID 160877549

IUPACtert-butylbenzene;9-tert-butylcarbazole;4-tert-butyldibenzofuran;4-tert-butyldibenzothiophene;4-tert-butyl-N,N-diphenylaniline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;N-tert-butyl-N-phenylaniline;1-tert-butyl-4-phenylbenzene;9-(4-tert-butylphenyl)carbazole;1-tert-butyl-4-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N,N-diphenylaniline;2,2-dimethylpropane;methane
SMILESC.C.CC(C)(C)C.CC(C)(C)N(c1ccccc1)c1ccccc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.CC(C)(C)c1ccc(/C=C/c2ccccc2)cc1.CC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2c1oc1ccccc12.CC(C)(C)c1cccc2c1sc1ccccc12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1.CC(C)(C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C30H29N.C22H21N.C22H23N.C18H20.C16H17N.C16H19N.C16H16O.C16H16S.C16H18.2C14H16.C10H14.C5H12.2CH4/c1-30(2,3)26-20-16-24(17-21-26)14-15-25-18-22-29(23-19-25)31(27-10-6-4-7-11-27)28-12-8-5-9-13-28;1-22(2,3)16-12-14-17(15-13-16)23-20-10-6-4-8-18(20)19-9-5-7-11-21(19)23;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;1-18(2,3)17-13-11-16(12-14-17)10-9-15-7-5-4-6-8-15;1-16(2,3)17-14-10-6-4-8-12(14)13-9-5-7-11-15(13)17;1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;2*1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4;;/h4-23H,1-3H3;4-15H,1-3H3;4-17H,1-3H3;4-14H,1-3H3;4-11H,1-3H3;4-13H,1-3H3;2*4-10H,1-3H3;4-12H,1-3H3;2*4-10H,1-3H3;4-8H,1-3H3;1-4H3;2*1H4/b15-14+;;;10-9+;;;;;;;;;;;
InChIKeySMPDQCKKWDQBST-DYMGBDNBSA-N
MW2971.45 g/mol
LogP64.96
Rot. Bonds14

About tert-butylbenzene;9-tert-butylcarbazole;4-tert-butyldibenzofuran;4-tert-butyldibenzothiophene;4-tert-butyl-N,N-diphenylaniline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;N-tert-butyl-N-phenylaniline;1-tert-butyl-4-phenylbenzene;9-(4-tert-butylphenyl)carbazole;1-tert-butyl-4-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N,N-diphenylaniline;2,2-dimethylpropane;methane

tert-butylbenzene;9-tert-butylcarbazole;4-tert-butyldibenzofuran;4-tert-butyldibenzothiophene;4-tert-butyl-N,N-diphenylaniline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;N-tert-butyl-N-phenylaniline;1-tert-butyl-4-phenylbenzene;9-(4-tert-butylphenyl)carbazole;1-tert-butyl-4-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N,N-diphenylaniline;2,2-dimethylpropane;methane (PubChem CID 160877549) has the molecular formula C217H245N5OS and a molecular weight of 2971.45 g/mol. Its IUPAC name is tert-butylbenzene;9-tert-butylcarbazole;4-tert-butyldibenzofuran;4-tert-butyldibenzothiophene;4-tert-butyl-N,N-diphenylaniline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;N-tert-butyl-N-phenylaniline;1-tert-butyl-4-phenylbenzene;9-(4-tert-butylphenyl)carbazole;1-tert-butyl-4-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N,N-diphenylaniline;2,2-dimethylpropane;methane.

Molecular Properties

Compound Nametert-butylbenzene;9-tert-butylcarbazole;4-tert-butyldibenzofuran;4-tert-butyldibenzothiophene;4-tert-butyl-N,N-diphenylaniline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;N-tert-butyl-N-phenylaniline;1-tert-butyl-4-phenylbenzene;9-(4-tert-butylphenyl)carbazole;1-tert-butyl-4-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N,N-diphenylaniline;2,2-dimethylpropane;methane
PubChem CID160877549
Molecular FormulaC217H245N5OS
Molecular Weight2971.45 g/mol
Exact Mass2968.90
IUPAC Nametert-butylbenzene;9-tert-butylcarbazole;4-tert-butyldibenzofuran;4-tert-butyldibenzothiophene;4-tert-butyl-N,N-diphenylaniline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;N-tert-butyl-N-phenylaniline;1-tert-butyl-4-phenylbenzene;9-(4-tert-butylphenyl)carbazole;1-tert-butyl-4-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N,N-diphenylaniline;2,2-dimethylpropane;methane
SMILESC.C.CC(C)(C)C.CC(C)(C)N(c1ccccc1)c1ccccc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.CC(C)(C)c1ccc(/C=C/c2ccccc2)cc1.CC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2c1oc1ccccc12.CC(C)(C)c1cccc2c1sc1ccccc12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1.CC(C)(C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C30H29N.C22H21N.C22H23N.C18H20.C16H17N.C16H19N.C16H16O.C16H16S.C16H18.2C14H16.C10H14.C5H12.2CH4/c1-30(2,3)26-20-16-24(17-21-26)14-15-25-18-22-29(23-19-25)31(27-10-6-4-7-11-27)28-12-8-5-9-13-28;1-22(2,3)16-12-14-17(15-13-16)23-20-10-6-4-8-18(20)19-9-5-7-11-21(19)23;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;1-18(2,3)17-13-11-16(12-14-17)10-9-15-7-5-4-6-8-15;1-16(2,3)17-14-10-6-4-8-12(14)13-9-5-7-11-15(13)17;1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;2*1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4;;/h4-23H,1-3H3;4-15H,1-3H3;4-17H,1-3H3;4-14H,1-3H3;4-11H,1-3H3;4-13H,1-3H3;2*4-10H,1-3H3;4-12H,1-3H3;2*4-10H,1-3H3;4-8H,1-3H3;1-4H3;2*1H4/b15-14+;;;10-9+;;;;;;;;;;;
InChIKeySMPDQCKKWDQBST-DYMGBDNBSA-N
XLogP64.96
TPSA32.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms224
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002971.45
LogP ≤ 564.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butylbenzene;9-tert-butylcarbazole;4-tert-butyldibenzofuran;4-tert-butyldibenzothiophene;4-tert-butyl-N,N-diphenylaniline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;N-tert-butyl-N-phenylaniline;1-tert-butyl-4-phenylbenzene;9-(4-tert-butylphenyl)carbazole;1-tert-butyl-4-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N,N-diphenylaniline;2,2-dimethylpropane;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;9-tert-butylcarbazole;4-tert-butyldibenzofuran;4-tert-butyldibenzothiophene;4-tert-butyl-N,N-diphenylaniline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;N-tert-butyl-N-phenylaniline;1-tert-butyl-4-phenylbenzene;9-(4-tert-butylphenyl)carbazole;1-tert-butyl-4-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N,N-diphenylaniline;2,2-dimethylpropane;methane?
The IUPAC name of tert-butylbenzene;9-tert-butylcarbazole;4-tert-butyldibenzofuran;4-tert-butyldibenzothiophene;4-tert-butyl-N,N-diphenylaniline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;N-tert-butyl-N-phenylaniline;1-tert-butyl-4-phenylbenzene;9-(4-tert-butylphenyl)carbazole;1-tert-butyl-4-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N,N-diphenylaniline;2,2-dimethylpropane;methane (CID 160877549) is tert-butylbenzene;9-tert-butylcarbazole;4-tert-butyldibenzofuran;4-tert-butyldibenzothiophene;4-tert-butyl-N,N-diphenylaniline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;N-tert-butyl-N-phenylaniline;1-tert-butyl-4-phenylbenzene;9-(4-tert-butylphenyl)carbazole;1-tert-butyl-4-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N,N-diphenylaniline;2,2-dimethylpropane;methane.
What is the SMILES notation for tert-butylbenzene;9-tert-butylcarbazole;4-tert-butyldibenzofuran;4-tert-butyldibenzothiophene;4-tert-butyl-N,N-diphenylaniline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;N-tert-butyl-N-phenylaniline;1-tert-butyl-4-phenylbenzene;9-(4-tert-butylphenyl)carbazole;1-tert-butyl-4-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N,N-diphenylaniline;2,2-dimethylpropane;methane?
The canonical SMILES for tert-butylbenzene;9-tert-butylcarbazole;4-tert-butyldibenzofuran;4-tert-butyldibenzothiophene;4-tert-butyl-N,N-diphenylaniline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;N-tert-butyl-N-phenylaniline;1-tert-butyl-4-phenylbenzene;9-(4-tert-butylphenyl)carbazole;1-tert-butyl-4-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N,N-diphenylaniline;2,2-dimethylpropane;methane is C.C.CC(C)(C)C.CC(C)(C)N(c1ccccc1)c1ccccc1.CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)c1ccc(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.CC(C)(C)c1ccc(/C=C/c2ccccc2)cc1.CC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2c1oc1ccccc12.CC(C)(C)c1cccc2c1sc1ccccc12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccccc1.CC(C)(C)n1c2ccccc2c2ccccc21.
What is the InChIKey of tert-butylbenzene;9-tert-butylcarbazole;4-tert-butyldibenzofuran;4-tert-butyldibenzothiophene;4-tert-butyl-N,N-diphenylaniline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;N-tert-butyl-N-phenylaniline;1-tert-butyl-4-phenylbenzene;9-(4-tert-butylphenyl)carbazole;1-tert-butyl-4-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N,N-diphenylaniline;2,2-dimethylpropane;methane?
The InChIKey is SMPDQCKKWDQBST-DYMGBDNBSA-N. The full InChI is InChI=1S/C30H29N.C22H21N.C22H23N.C18H20.C16H17N.C16H19N.C16H16O.C16H16S.C16H18.2C14H16.C10H14.C5H12.2CH4/c1-30(2,3)26-20-16-24(17-21-26)14-15-25-18-22-29(23-19-25)31(27-10-6-4-7-11-27)28-12-8-5-9-13-28;1-22(2,3)16-12-14-17(15-13-16)23-20-10-6-4-8-18(20)19-9-5-7-11-21(19)23;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;1-18(2,3)17-13-11-16(12-14-17)10-9-15-7-5-4-6-8-15;1-16(2,3)17-14-10-6-4-8-12(14)13-9-5-7-11-15(13)17;1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;2*1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4;;/h4-23H,1-3H3;4-15H,1-3H3;4-17H,1-3H3;4-14H,1-3H3;4-11H,1-3H3;4-13H,1-3H3;2*4-10H,1-3H3;4-12H,1-3H3;2*4-10H,1-3H3;4-8H,1-3H3;1-4H3;2*1H4/b15-14+;;;10-9+;;;;;;;;;;;.
What are the key properties of tert-butylbenzene;9-tert-butylcarbazole;4-tert-butyldibenzofuran;4-tert-butyldibenzothiophene;4-tert-butyl-N,N-diphenylaniline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;N-tert-butyl-N-phenylaniline;1-tert-butyl-4-phenylbenzene;9-(4-tert-butylphenyl)carbazole;1-tert-butyl-4-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N,N-diphenylaniline;2,2-dimethylpropane;methane?
tert-butylbenzene;9-tert-butylcarbazole;4-tert-butyldibenzofuran;4-tert-butyldibenzothiophene;4-tert-butyl-N,N-diphenylaniline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;N-tert-butyl-N-phenylaniline;1-tert-butyl-4-phenylbenzene;9-(4-tert-butylphenyl)carbazole;1-tert-butyl-4-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N,N-diphenylaniline;2,2-dimethylpropane;methane has a molecular weight of 2971.45 g/mol, XLogP of 64.96, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;9-tert-butylcarbazole;4-tert-butyldibenzofuran;4-tert-butyldibenzothiophene;4-tert-butyl-N,N-diphenylaniline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;N-tert-butyl-N-phenylaniline;1-tert-butyl-4-phenylbenzene;9-(4-tert-butylphenyl)carbazole;1-tert-butyl-4-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(4-tert-butylphenyl)ethenyl]-N,N-diphenylaniline;2,2-dimethylpropane;methane is sourced from PubChem (CID 160877549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).