10-tert-butyl-4a,10a-dihydrophenothiazine;10-tert-butyl-4a,10a-dihydrophenoxazine;1-tert-butyl-2H-benzimidazol-1-ium;9-tert-butyl-10,10-dimethyl-9,9a-dihydro-4aH-anthracene;9-tert-butyl-9H-fluorene;1-tert-butyl-2H-indazol-1-ium;bis(2-tert-butyl-1H-indene);bis(2-tert-butyl-3H-indole);1-tert-butyl-2H-indol-1-ium;5-tert-butyl-10-methyl-4a,10a-dihydrophenazine;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylindole;5-tert-butyl-10-(2-methylpropyl)-4a,10a-dihydrophenazine;9-(4-tert-butylphenyl)carbazole

C237H294N17OS+3 — CID 160510016

About 10-tert-butyl-4a,10a-dihydrophenothiazine;10-tert-butyl-4a,10a-dihydrophenoxazine;1-tert-butyl-2H-benzimidazol-1-ium;9-tert-butyl-10,10-dimethyl-9,9a-dihydro-4aH-anthracene;9-tert-butyl-9H-fluorene;1-tert-butyl-2H-indazol-1-ium;bis(2-tert-butyl-1H-indene);bis(2-tert-butyl-3H-indole);1-tert-butyl-2H-indol-1-ium;5-tert-butyl-10-methyl-4a,10a-dihydrophenazine;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylindole;5-tert-butyl-10-(2-methylpropyl)-4a,10a-dihydrophenazine;9-(4-tert-butylphenyl)carbazole

10-tert-butyl-4a,10a-dihydrophenothiazine;10-tert-butyl-4a,10a-dihydrophenoxazine;1-tert-butyl-2H-benzimidazol-1-ium;9-tert-butyl-10,10-dimethyl-9,9a-dihydro-4aH-anthracene;9-tert-butyl-9H-fluorene;1-tert-butyl-2H-indazol-1-ium;bis(2-tert-butyl-1H-indene);bis(2-tert-butyl-3H-indole);1-tert-butyl-2H-indol-1-ium;5-tert-butyl-10-methyl-4a,10a-dihydrophenazine;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylindole;5-tert-butyl-10-(2-methylpropyl)-4a,10a-dihydrophenazine;9-(4-tert-butylphenyl)carbazole (PubChem CID 160510016) has the molecular formula C237H294N17OS+3 and a molecular weight of 3429.14 g/mol. Its IUPAC name is 10-tert-butyl-4a,10a-dihydrophenothiazine;10-tert-butyl-4a,10a-dihydrophenoxazine;1-tert-butyl-2H-benzimidazol-1-ium;9-tert-butyl-10,10-dimethyl-9,9a-dihydro-4aH-anthracene;9-tert-butyl-9H-fluorene;1-tert-butyl-2H-indazol-1-ium;bis(2-tert-butyl-1H-indene);bis(2-tert-butyl-3H-indole);1-tert-butyl-2H-indol-1-ium;5-tert-butyl-10-methyl-4a,10a-dihydrophenazine;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylindole;5-tert-butyl-10-(2-methylpropyl)-4a,10a-dihydrophenazine;9-(4-tert-butylphenyl)carbazole.

Molecular Properties

• Compound Name: 10-tert-butyl-4a,10a-dihydrophenothiazine;10-tert-butyl-4a,10a-dihydrophenoxazine;1-tert-butyl-2H-benzimidazol-1-ium;9-tert-butyl-10,10-dimethyl-9,9a-dihydro-4aH-anthracene;9-tert-butyl-9H-fluorene;1-tert-butyl-2H-indazol-1-ium;bis(2-tert-butyl-1H-indene);bis(2-tert-butyl-3H-indole);1-tert-butyl-2H-indol-1-ium;5-tert-butyl-10-methyl-4a,10a-dihydrophenazine;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylindole;5-tert-butyl-10-(2-methylpropyl)-4a,10a-dihydrophenazine;9-(4-tert-butylphenyl)carbazole
• PubChem CID: 160510016
• Molecular Formula: C237H294N17OS+3
• Molecular Weight: 3429.14 g/mol
• Exact Mass: 3426.32
• IUPAC Name: 10-tert-butyl-4a,10a-dihydrophenothiazine;10-tert-butyl-4a,10a-dihydrophenoxazine;1-tert-butyl-2H-benzimidazol-1-ium;9-tert-butyl-10,10-dimethyl-9,9a-dihydro-4aH-anthracene;9-tert-butyl-9H-fluorene;1-tert-butyl-2H-indazol-1-ium;bis(2-tert-butyl-1H-indene);bis(2-tert-butyl-3H-indole);1-tert-butyl-2H-indol-1-ium;5-tert-butyl-10-methyl-4a,10a-dihydrophenazine;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylindole;5-tert-butyl-10-(2-methylpropyl)-4a,10a-dihydrophenazine;9-(4-tert-butylphenyl)carbazole
• SMILES: CC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)C1c2ccccc2-c2ccccc21.CC(C)(C)C1c2ccccc2C(C)(C)C2C=CC=CC12.CC(C)(C)N1c2ccccc2OC2C=CC=CC21.CC(C)(C)N1c2ccccc2SC2C=CC=CC21.CC(C)(C)[N+]1=c2ccccc2=CC1.CC(C)(C)[N+]1=c2ccccc2=NC1.CC(C)(C)[n+]1[nH]cc2ccccc21.CC(C)(C)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)CN1c2ccccc2N(C(C)(C)C)C2C=CC=CC21.CN1c2ccccc2N(C(C)(C)C)C2C=CC=CC21.Cn1c(C(C)(C)C)cc2ccccc21.Cn1c(C(C)(C)C)nc2ccccc21
• InChI: InChI=1S/C22H21N.C20H28N2.C20H26.C17H22N2.C17H18.C16H19NO.C16H19NS.C13H17N.2C13H16.C12H16N2.C12H16N.2C12H15N.C11H15N2.C11H14N2/c1-22(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;1-15(2)14-21-16-10-6-8-12-18(16)22(20(3,4)5)19-13-9-7-11-17(19)21;1-19(2,3)18-14-10-6-8-12-16(14)20(4,5)17-13-9-7-11-15(17)18;1-17(2,3)19-15-11-7-5-9-13(15)18(4)14-10-6-8-12-16(14)19;1-17(2,3)16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)16;2*1-16(2,3)17-12-8-4-6-10-14(12)18-15-11-7-5-9-13(15)17;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;2*1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;2*1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-11(2,3)13-10-7-5-4-6-9(10)8-12-13/h4-15H,1-3H3;6-13,15-16,18H,14H2,1-5H3;6-14,16,18H,1-5H3;5-13,15H,1-4H3;4-11,16H,1-3H3;2*4-12,14H,1-3H3;5-9H,1-4H3;2*4-8H,9H2,1-3H3;5-8H,1-4H3;4-8H,9H2,1-3H3;3*4-7H,8H2,1-3H3;4-8H,1-3H3/q;;;;;;;;;;;+1;;;+1;/p+1
• InChIKey: NAJHEBPBVHBZSC-UHFFFAOYSA-O
• XLogP: 56.40
• TPSA: 119.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 3
• Heavy Atoms: 256
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3429.14
LogP ≤ 5	56.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-4a,10a-dihydrophenothiazine;10-tert-butyl-4a,10a-dihydrophenoxazine;1-tert-butyl-2H-benzimidazol-1-ium;9-tert-butyl-10,10-dimethyl-9,9a-dihydro-4aH-anthracene;9-tert-butyl-9H-fluorene;1-tert-butyl-2H-indazol-1-ium;bis(2-tert-butyl-1H-indene);bis(2-tert-butyl-3H-indole);1-tert-butyl-2H-indol-1-ium;5-tert-butyl-10-methyl-4a,10a-dihydrophenazine;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylindole;5-tert-butyl-10-(2-methylpropyl)-4a,10a-dihydrophenazine;9-(4-tert-butylphenyl)carbazole?

The IUPAC name of 10-tert-butyl-4a,10a-dihydrophenothiazine;10-tert-butyl-4a,10a-dihydrophenoxazine;1-tert-butyl-2H-benzimidazol-1-ium;9-tert-butyl-10,10-dimethyl-9,9a-dihydro-4aH-anthracene;9-tert-butyl-9H-fluorene;1-tert-butyl-2H-indazol-1-ium;bis(2-tert-butyl-1H-indene);bis(2-tert-butyl-3H-indole);1-tert-butyl-2H-indol-1-ium;5-tert-butyl-10-methyl-4a,10a-dihydrophenazine;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylindole;5-tert-butyl-10-(2-methylpropyl)-4a,10a-dihydrophenazine;9-(4-tert-butylphenyl)carbazole (CID 160510016) is 10-tert-butyl-4a,10a-dihydrophenothiazine;10-tert-butyl-4a,10a-dihydrophenoxazine;1-tert-butyl-2H-benzimidazol-1-ium;9-tert-butyl-10,10-dimethyl-9,9a-dihydro-4aH-anthracene;9-tert-butyl-9H-fluorene;1-tert-butyl-2H-indazol-1-ium;bis(2-tert-butyl-1H-indene);bis(2-tert-butyl-3H-indole);1-tert-butyl-2H-indol-1-ium;5-tert-butyl-10-methyl-4a,10a-dihydrophenazine;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylindole;5-tert-butyl-10-(2-methylpropyl)-4a,10a-dihydrophenazine;9-(4-tert-butylphenyl)carbazole.

What is the SMILES notation for 10-tert-butyl-4a,10a-dihydrophenothiazine;10-tert-butyl-4a,10a-dihydrophenoxazine;1-tert-butyl-2H-benzimidazol-1-ium;9-tert-butyl-10,10-dimethyl-9,9a-dihydro-4aH-anthracene;9-tert-butyl-9H-fluorene;1-tert-butyl-2H-indazol-1-ium;bis(2-tert-butyl-1H-indene);bis(2-tert-butyl-3H-indole);1-tert-butyl-2H-indol-1-ium;5-tert-butyl-10-methyl-4a,10a-dihydrophenazine;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylindole;5-tert-butyl-10-(2-methylpropyl)-4a,10a-dihydrophenazine;9-(4-tert-butylphenyl)carbazole?

The canonical SMILES for 10-tert-butyl-4a,10a-dihydrophenothiazine;10-tert-butyl-4a,10a-dihydrophenoxazine;1-tert-butyl-2H-benzimidazol-1-ium;9-tert-butyl-10,10-dimethyl-9,9a-dihydro-4aH-anthracene;9-tert-butyl-9H-fluorene;1-tert-butyl-2H-indazol-1-ium;bis(2-tert-butyl-1H-indene);bis(2-tert-butyl-3H-indole);1-tert-butyl-2H-indol-1-ium;5-tert-butyl-10-methyl-4a,10a-dihydrophenazine;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylindole;5-tert-butyl-10-(2-methylpropyl)-4a,10a-dihydrophenazine;9-(4-tert-butylphenyl)carbazole is CC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)C1c2ccccc2-c2ccccc21.CC(C)(C)C1c2ccccc2C(C)(C)C2C=CC=CC12.CC(C)(C)N1c2ccccc2OC2C=CC=CC21.CC(C)(C)N1c2ccccc2SC2C=CC=CC21.CC(C)(C)[N+]1=c2ccccc2=CC1.CC(C)(C)[N+]1=c2ccccc2=NC1.CC(C)(C)[n+]1[nH]cc2ccccc21.CC(C)(C)c1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)CN1c2ccccc2N(C(C)(C)C)C2C=CC=CC21.CN1c2ccccc2N(C(C)(C)C)C2C=CC=CC21.Cn1c(C(C)(C)C)cc2ccccc21.Cn1c(C(C)(C)C)nc2ccccc21.

What is the InChIKey of 10-tert-butyl-4a,10a-dihydrophenothiazine;10-tert-butyl-4a,10a-dihydrophenoxazine;1-tert-butyl-2H-benzimidazol-1-ium;9-tert-butyl-10,10-dimethyl-9,9a-dihydro-4aH-anthracene;9-tert-butyl-9H-fluorene;1-tert-butyl-2H-indazol-1-ium;bis(2-tert-butyl-1H-indene);bis(2-tert-butyl-3H-indole);1-tert-butyl-2H-indol-1-ium;5-tert-butyl-10-methyl-4a,10a-dihydrophenazine;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylindole;5-tert-butyl-10-(2-methylpropyl)-4a,10a-dihydrophenazine;9-(4-tert-butylphenyl)carbazole?

The InChIKey is NAJHEBPBVHBZSC-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H21N.C20H28N2.C20H26.C17H22N2.C17H18.C16H19NO.C16H19NS.C13H17N.2C13H16.C12H16N2.C12H16N.2C12H15N.C11H15N2.C11H14N2/c1-22(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;1-15(2)14-21-16-10-6-8-12-18(16)22(20(3,4)5)19-13-9-7-11-17(19)21;1-19(2,3)18-14-10-6-8-12-16(14)20(4,5)17-13-9-7-11-15(17)18;1-17(2,3)19-15-11-7-5-9-13(15)18(4)14-10-6-8-12-16(14)19;1-17(2,3)16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)16;2*1-16(2,3)17-12-8-4-6-10-14(12)18-15-11-7-5-9-13(15)17;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;2*1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;2*1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13;1-11(2,3)13-10-7-5-4-6-9(10)8-12-13/h4-15H,1-3H3;6-13,15-16,18H,14H2,1-5H3;6-14,16,18H,1-5H3;5-13,15H,1-4H3;4-11,16H,1-3H3;2*4-12,14H,1-3H3;5-9H,1-4H3;2*4-8H,9H2,1-3H3;5-8H,1-4H3;4-8H,9H2,1-3H3;3*4-7H,8H2,1-3H3;4-8H,1-3H3/q;;;;;;;;;;;+1;;;+1;/p+1.

What are the key properties of 10-tert-butyl-4a,10a-dihydrophenothiazine;10-tert-butyl-4a,10a-dihydrophenoxazine;1-tert-butyl-2H-benzimidazol-1-ium;9-tert-butyl-10,10-dimethyl-9,9a-dihydro-4aH-anthracene;9-tert-butyl-9H-fluorene;1-tert-butyl-2H-indazol-1-ium;bis(2-tert-butyl-1H-indene);bis(2-tert-butyl-3H-indole);1-tert-butyl-2H-indol-1-ium;5-tert-butyl-10-methyl-4a,10a-dihydrophenazine;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylindole;5-tert-butyl-10-(2-methylpropyl)-4a,10a-dihydrophenazine;9-(4-tert-butylphenyl)carbazole?

10-tert-butyl-4a,10a-dihydrophenothiazine;10-tert-butyl-4a,10a-dihydrophenoxazine;1-tert-butyl-2H-benzimidazol-1-ium;9-tert-butyl-10,10-dimethyl-9,9a-dihydro-4aH-anthracene;9-tert-butyl-9H-fluorene;1-tert-butyl-2H-indazol-1-ium;bis(2-tert-butyl-1H-indene);bis(2-tert-butyl-3H-indole);1-tert-butyl-2H-indol-1-ium;5-tert-butyl-10-methyl-4a,10a-dihydrophenazine;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylindole;5-tert-butyl-10-(2-methylpropyl)-4a,10a-dihydrophenazine;9-(4-tert-butylphenyl)carbazole has a molecular weight of 3429.14 g/mol, XLogP of 56.40, 3 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 10-tert-butyl-4a,10a-dihydrophenothiazine;10-tert-butyl-4a,10a-dihydrophenoxazine;1-tert-butyl-2H-benzimidazol-1-ium;9-tert-butyl-10,10-dimethyl-9,9a-dihydro-4aH-anthracene;9-tert-butyl-9H-fluorene;1-tert-butyl-2H-indazol-1-ium;bis(2-tert-butyl-1H-indene);bis(2-tert-butyl-3H-indole);1-tert-butyl-2H-indol-1-ium;5-tert-butyl-10-methyl-4a,10a-dihydrophenazine;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1-methylindole;5-tert-butyl-10-(2-methylpropyl)-4a,10a-dihydrophenazine;9-(4-tert-butylphenyl)carbazole is sourced from PubChem (CID 160510016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).