9-tert-butylacridine;11-tert-butylbenzo[b][1]benzazepine;9-tert-butylcarbazole;11-tert-butyl-5,6-dihydrobenzo[b][1]benzazepine;10-tert-butylphenothiazine;10-tert-butylphenoxazine;2-tert-butyl-4-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline

C141H148N10O3S — CID 158392936

IUPAC9-tert-butylacridine;11-tert-butylbenzo[b][1]benzazepine;9-tert-butylcarbazole;11-tert-butyl-5,6-dihydrobenzo[b][1]benzazepine;10-tert-butylphenothiazine;10-tert-butylphenoxazine;2-tert-butyl-4-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline
SMILESCC(C)(C)N1c2ccccc2C=Cc2ccccc21.CC(C)(C)N1c2ccccc2CCc2ccccc21.CC(C)(C)N1c2ccccc2Oc2ccccc21.CC(C)(C)N1c2ccccc2Sc2ccccc21.CC(C)(C)c1c2ccccc2nc2ccccc12.CC(C)(C)c1cc(-c2ccccn2)c2ccc3c(c2n1)CCO3.CC(C)(C)c1cc(-c2ccccn2)nc2c3c(ccc12)OCC3.CC(C)(C)n1c2ccccc2c2ccccc21
InChIInChI=1S/2C20H20N2O.C18H21N.C18H19N.C17H17N.C16H17NO.C16H17NS.C16H17N/c1-20(2,3)15-12-17(16-6-4-5-10-21-16)22-19-13(15)7-8-18-14(19)9-11-23-18;1-20(2,3)18-12-15(16-6-4-5-10-21-16)13-7-8-17-14(9-11-23-17)19(13)22-18;2*1-18(2,3)19-16-10-6-4-8-14(16)12-13-15-9-5-7-11-17(15)19;1-17(2,3)16-12-8-4-6-10-14(12)18-15-11-7-5-9-13(15)16;2*1-16(2,3)17-12-8-4-6-10-14(12)18-15-11-7-5-9-13(15)17;1-16(2,3)17-14-10-6-4-8-12(14)13-9-5-7-11-15(13)17/h2*4-8,10,12H,9,11H2,1-3H3;4-11H,12-13H2,1-3H3;4-13H,1-3H3;3*4-11H,1-3H3;4-11H,1-3H3
InChIKeyGXEPKSTYIBNYPG-UHFFFAOYSA-N
MW2062.87 g/mol
LogP37.94
Rot. Bonds2

About 9-tert-butylacridine;11-tert-butylbenzo[b][1]benzazepine;9-tert-butylcarbazole;11-tert-butyl-5,6-dihydrobenzo[b][1]benzazepine;10-tert-butylphenothiazine;10-tert-butylphenoxazine;2-tert-butyl-4-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline

9-tert-butylacridine;11-tert-butylbenzo[b][1]benzazepine;9-tert-butylcarbazole;11-tert-butyl-5,6-dihydrobenzo[b][1]benzazepine;10-tert-butylphenothiazine;10-tert-butylphenoxazine;2-tert-butyl-4-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline (PubChem CID 158392936) has the molecular formula C141H148N10O3S and a molecular weight of 2062.87 g/mol. Its IUPAC name is 9-tert-butylacridine;11-tert-butylbenzo[b][1]benzazepine;9-tert-butylcarbazole;11-tert-butyl-5,6-dihydrobenzo[b][1]benzazepine;10-tert-butylphenothiazine;10-tert-butylphenoxazine;2-tert-butyl-4-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline.

Molecular Properties

Compound Name9-tert-butylacridine;11-tert-butylbenzo[b][1]benzazepine;9-tert-butylcarbazole;11-tert-butyl-5,6-dihydrobenzo[b][1]benzazepine;10-tert-butylphenothiazine;10-tert-butylphenoxazine;2-tert-butyl-4-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline
PubChem CID158392936
Molecular FormulaC141H148N10O3S
Molecular Weight2062.87 g/mol
Exact Mass2061.15
IUPAC Name9-tert-butylacridine;11-tert-butylbenzo[b][1]benzazepine;9-tert-butylcarbazole;11-tert-butyl-5,6-dihydrobenzo[b][1]benzazepine;10-tert-butylphenothiazine;10-tert-butylphenoxazine;2-tert-butyl-4-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline
SMILESCC(C)(C)N1c2ccccc2C=Cc2ccccc21.CC(C)(C)N1c2ccccc2CCc2ccccc21.CC(C)(C)N1c2ccccc2Oc2ccccc21.CC(C)(C)N1c2ccccc2Sc2ccccc21.CC(C)(C)c1c2ccccc2nc2ccccc12.CC(C)(C)c1cc(-c2ccccn2)c2ccc3c(c2n1)CCO3.CC(C)(C)c1cc(-c2ccccn2)nc2c3c(ccc12)OCC3.CC(C)(C)n1c2ccccc2c2ccccc21
InChIInChI=1S/2C20H20N2O.C18H21N.C18H19N.C17H17N.C16H17NO.C16H17NS.C16H17N/c1-20(2,3)15-12-17(16-6-4-5-10-21-16)22-19-13(15)7-8-18-14(19)9-11-23-18;1-20(2,3)18-12-15(16-6-4-5-10-21-16)13-7-8-17-14(9-11-23-17)19(13)22-18;2*1-18(2,3)19-16-10-6-4-8-14(16)12-13-15-9-5-7-11-17(15)19;1-17(2,3)16-12-8-4-6-10-14(12)18-15-11-7-5-9-13(15)16;2*1-16(2,3)17-12-8-4-6-10-14(12)18-15-11-7-5-9-13(15)17;1-16(2,3)17-14-10-6-4-8-12(14)13-9-5-7-11-15(13)17/h2*4-8,10,12H,9,11H2,1-3H3;4-11H,12-13H2,1-3H3;4-13H,1-3H3;3*4-11H,1-3H3;4-11H,1-3H3
InChIKeyGXEPKSTYIBNYPG-UHFFFAOYSA-N
XLogP37.94
TPSA110.03 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002062.87
LogP ≤ 537.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 9-tert-butylacridine;11-tert-butylbenzo[b][1]benzazepine;9-tert-butylcarbazole;11-tert-butyl-5,6-dihydrobenzo[b][1]benzazepine;10-tert-butylphenothiazine;10-tert-butylphenoxazine;2-tert-butyl-4-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline 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

3-[Dimethyl-[3-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]azaniumyl]propyl-dimethyl-[3-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]azanium
CID 132037089
5,6'-Di(carbazol-9-yl)-1'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654390
4'-Carbazol-9-yl-5'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654790
1'-Carbazol-9-yl-8'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654797
1',5-Di(carbazol-9-yl)-6'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654813
4'-Carbazol-9-yl-5'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655608
4',5,11-Tri(carbazol-9-yl)-5'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655609
5-Carbazol-9-yl-4'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655610
3'-(9H-acridin-10-yl)-5,11-di(carbazol-9-yl)-6'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655974
5-Carbazol-9-yl-2'-phenothiazin-10-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655980
1'-Carbazol-9-yl-5-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655982
1'-Carbazol-9-yl-6'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655988

Frequently Asked Questions

What is the IUPAC name of 9-tert-butylacridine;11-tert-butylbenzo[b][1]benzazepine;9-tert-butylcarbazole;11-tert-butyl-5,6-dihydrobenzo[b][1]benzazepine;10-tert-butylphenothiazine;10-tert-butylphenoxazine;2-tert-butyl-4-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline?
The IUPAC name of 9-tert-butylacridine;11-tert-butylbenzo[b][1]benzazepine;9-tert-butylcarbazole;11-tert-butyl-5,6-dihydrobenzo[b][1]benzazepine;10-tert-butylphenothiazine;10-tert-butylphenoxazine;2-tert-butyl-4-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline (CID 158392936) is 9-tert-butylacridine;11-tert-butylbenzo[b][1]benzazepine;9-tert-butylcarbazole;11-tert-butyl-5,6-dihydrobenzo[b][1]benzazepine;10-tert-butylphenothiazine;10-tert-butylphenoxazine;2-tert-butyl-4-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline.
What is the SMILES notation for 9-tert-butylacridine;11-tert-butylbenzo[b][1]benzazepine;9-tert-butylcarbazole;11-tert-butyl-5,6-dihydrobenzo[b][1]benzazepine;10-tert-butylphenothiazine;10-tert-butylphenoxazine;2-tert-butyl-4-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline?
The canonical SMILES for 9-tert-butylacridine;11-tert-butylbenzo[b][1]benzazepine;9-tert-butylcarbazole;11-tert-butyl-5,6-dihydrobenzo[b][1]benzazepine;10-tert-butylphenothiazine;10-tert-butylphenoxazine;2-tert-butyl-4-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline is CC(C)(C)N1c2ccccc2C=Cc2ccccc21.CC(C)(C)N1c2ccccc2CCc2ccccc21.CC(C)(C)N1c2ccccc2Oc2ccccc21.CC(C)(C)N1c2ccccc2Sc2ccccc21.CC(C)(C)c1c2ccccc2nc2ccccc12.CC(C)(C)c1cc(-c2ccccn2)c2ccc3c(c2n1)CCO3.CC(C)(C)c1cc(-c2ccccn2)nc2c3c(ccc12)OCC3.CC(C)(C)n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-tert-butylacridine;11-tert-butylbenzo[b][1]benzazepine;9-tert-butylcarbazole;11-tert-butyl-5,6-dihydrobenzo[b][1]benzazepine;10-tert-butylphenothiazine;10-tert-butylphenoxazine;2-tert-butyl-4-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline?
The InChIKey is GXEPKSTYIBNYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H20N2O.C18H21N.C18H19N.C17H17N.C16H17NO.C16H17NS.C16H17N/c1-20(2,3)15-12-17(16-6-4-5-10-21-16)22-19-13(15)7-8-18-14(19)9-11-23-18;1-20(2,3)18-12-15(16-6-4-5-10-21-16)13-7-8-17-14(9-11-23-17)19(13)22-18;2*1-18(2,3)19-16-10-6-4-8-14(16)12-13-15-9-5-7-11-17(15)19;1-17(2,3)16-12-8-4-6-10-14(12)18-15-11-7-5-9-13(15)16;2*1-16(2,3)17-12-8-4-6-10-14(12)18-15-11-7-5-9-13(15)17;1-16(2,3)17-14-10-6-4-8-12(14)13-9-5-7-11-15(13)17/h2*4-8,10,12H,9,11H2,1-3H3;4-11H,12-13H2,1-3H3;4-13H,1-3H3;3*4-11H,1-3H3;4-11H,1-3H3.
What are the key properties of 9-tert-butylacridine;11-tert-butylbenzo[b][1]benzazepine;9-tert-butylcarbazole;11-tert-butyl-5,6-dihydrobenzo[b][1]benzazepine;10-tert-butylphenothiazine;10-tert-butylphenoxazine;2-tert-butyl-4-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline?
9-tert-butylacridine;11-tert-butylbenzo[b][1]benzazepine;9-tert-butylcarbazole;11-tert-butyl-5,6-dihydrobenzo[b][1]benzazepine;10-tert-butylphenothiazine;10-tert-butylphenoxazine;2-tert-butyl-4-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline has a molecular weight of 2062.87 g/mol, XLogP of 37.94, 2 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butylacridine;11-tert-butylbenzo[b][1]benzazepine;9-tert-butylcarbazole;11-tert-butyl-5,6-dihydrobenzo[b][1]benzazepine;10-tert-butylphenothiazine;10-tert-butylphenoxazine;2-tert-butyl-4-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline;4-tert-butyl-2-pyridin-2-yl-8,9-dihydrofuro[2,3-h]quinoline is sourced from PubChem (CID 158392936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).