9-(benzenesulfonyl)-2,6-di(propan-2-yl)carbazole;3,9-ditert-butyl-5,6,6a,10a-tetrahydrobenzo[b][1]benzoxepine;2,6-ditert-butyl-9,9-difluorofluorene;9,9-dimethyl-2,6-di(propan-2-yl)fluorene;2,7-di(propan-2-yl)-4a,10a-dihydrodibenzo-p-dioxin;2,6-di(propan-2-yl)anthracene;2,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)spiro[4a,9a-dihydroxanthene-9,1'-cyclopropane];4,11-di(propan-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,10,12-pentaene

C187H223F2NO7S — CID 162212505

IUPAC9-(benzenesulfonyl)-2,6-di(propan-2-yl)carbazole;3,9-ditert-butyl-5,6,6a,10a-tetrahydrobenzo[b][1]benzoxepine;2,6-ditert-butyl-9,9-difluorofluorene;9,9-dimethyl-2,6-di(propan-2-yl)fluorene;2,7-di(propan-2-yl)-4a,10a-dihydrodibenzo-p-dioxin;2,6-di(propan-2-yl)anthracene;2,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)spiro[4a,9a-dihydroxanthene-9,1'-cyclopropane];4,11-di(propan-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,10,12-pentaene
SMILESCC(C)(C)C1=CC2Oc3ccc(C(C)(C)C)cc3CCC2C=C1.CC(C)(C)c1ccc2c(c1)-c1ccc(C(C)(C)C)cc1C2(F)F.CC(C)C1=CC2C3CCC(c4cc(C(C)C)ccc43)C2C=C1.CC(C)C1=CC2Oc3ccc(C(C)C)cc3C3(CC3)C2C=C1.CC(C)C1=CC2Oc3ccc(C(C)C)cc3OC2C=C1.CC(C)c1ccc2c(c1)-c1ccc(C(C)C)cc1C2(C)C.CC(C)c1ccc2c(c1)c1ccc(C(C)C)cc1n2S(=O)(=O)c1ccccc1.CC(C)c1ccc2c(c1)oc1ccc(C(C)C)cc12.CC(C)c1ccc2cc3cc(C(C)C)ccc3cc2c1
InChIInChI=1S/C24H25NO2S.C22H30O.C22H28.C21H24F2.C21H26O.C21H26.C20H22.C18H22O2.C18H20O/c1-16(2)18-11-13-23-22(14-18)21-12-10-19(17(3)4)15-24(21)25(23)28(26,27)20-8-6-5-7-9-20;1-21(2,3)17-11-12-19-16(13-17)8-7-15-9-10-18(22(4,5)6)14-20(15)23-19;1-13(2)15-5-7-17-20-10-9-19(21(17)11-15)18-8-6-16(14(3)4)12-22(18)20;1-19(2,3)13-8-10-17-16(11-13)15-9-7-14(20(4,5)6)12-18(15)21(17,22)23;1-13(2)15-6-8-19-18(11-15)21(9-10-21)17-7-5-16(14(3)4)12-20(17)22-19;1-13(2)15-8-10-19-18(11-15)17-9-7-16(14(3)4)12-20(17)21(19,5)6;1-13(2)15-5-7-17-12-20-10-16(14(3)4)6-8-18(20)11-19(17)9-15;1-11(2)13-5-7-15-17(9-13)19-16-8-6-14(12(3)4)10-18(16)20-15;1-11(2)13-6-8-17-16(9-13)15-7-5-14(12(3)4)10-18(15)19-17/h5-17H,1-4H3;9-15,20H,7-8H2,1-6H3;5-8,11-14,17,19-21H,9-10H2,1-4H3;7-12H,1-6H3;5-8,11-14,17,20H,9-10H2,1-4H3;7-14H,1-6H3;5-14H,1-4H3;5-12,15,17H,1-4H3;5-12H,1-4H3
InChIKeyZTAQBRWBFPZNFY-UHFFFAOYSA-N
MW2666.90 g/mol
LogP52.84
Rot. Bonds16

About 9-(benzenesulfonyl)-2,6-di(propan-2-yl)carbazole;3,9-ditert-butyl-5,6,6a,10a-tetrahydrobenzo[b][1]benzoxepine;2,6-ditert-butyl-9,9-difluorofluorene;9,9-dimethyl-2,6-di(propan-2-yl)fluorene;2,7-di(propan-2-yl)-4a,10a-dihydrodibenzo-p-dioxin;2,6-di(propan-2-yl)anthracene;2,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)spiro[4a,9a-dihydroxanthene-9,1'-cyclopropane];4,11-di(propan-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,10,12-pentaene

9-(benzenesulfonyl)-2,6-di(propan-2-yl)carbazole;3,9-ditert-butyl-5,6,6a,10a-tetrahydrobenzo[b][1]benzoxepine;2,6-ditert-butyl-9,9-difluorofluorene;9,9-dimethyl-2,6-di(propan-2-yl)fluorene;2,7-di(propan-2-yl)-4a,10a-dihydrodibenzo-p-dioxin;2,6-di(propan-2-yl)anthracene;2,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)spiro[4a,9a-dihydroxanthene-9,1'-cyclopropane];4,11-di(propan-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,10,12-pentaene (PubChem CID 162212505) has the molecular formula C187H223F2NO7S and a molecular weight of 2666.90 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-2,6-di(propan-2-yl)carbazole;3,9-ditert-butyl-5,6,6a,10a-tetrahydrobenzo[b][1]benzoxepine;2,6-ditert-butyl-9,9-difluorofluorene;9,9-dimethyl-2,6-di(propan-2-yl)fluorene;2,7-di(propan-2-yl)-4a,10a-dihydrodibenzo-p-dioxin;2,6-di(propan-2-yl)anthracene;2,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)spiro[4a,9a-dihydroxanthene-9,1'-cyclopropane];4,11-di(propan-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,10,12-pentaene.

Molecular Properties

Compound Name9-(benzenesulfonyl)-2,6-di(propan-2-yl)carbazole;3,9-ditert-butyl-5,6,6a,10a-tetrahydrobenzo[b][1]benzoxepine;2,6-ditert-butyl-9,9-difluorofluorene;9,9-dimethyl-2,6-di(propan-2-yl)fluorene;2,7-di(propan-2-yl)-4a,10a-dihydrodibenzo-p-dioxin;2,6-di(propan-2-yl)anthracene;2,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)spiro[4a,9a-dihydroxanthene-9,1'-cyclopropane];4,11-di(propan-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,10,12-pentaene
PubChem CID162212505
Molecular FormulaC187H223F2NO7S
Molecular Weight2666.90 g/mol
Exact Mass2664.68
IUPAC Name9-(benzenesulfonyl)-2,6-di(propan-2-yl)carbazole;3,9-ditert-butyl-5,6,6a,10a-tetrahydrobenzo[b][1]benzoxepine;2,6-ditert-butyl-9,9-difluorofluorene;9,9-dimethyl-2,6-di(propan-2-yl)fluorene;2,7-di(propan-2-yl)-4a,10a-dihydrodibenzo-p-dioxin;2,6-di(propan-2-yl)anthracene;2,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)spiro[4a,9a-dihydroxanthene-9,1'-cyclopropane];4,11-di(propan-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,10,12-pentaene
SMILESCC(C)(C)C1=CC2Oc3ccc(C(C)(C)C)cc3CCC2C=C1.CC(C)(C)c1ccc2c(c1)-c1ccc(C(C)(C)C)cc1C2(F)F.CC(C)C1=CC2C3CCC(c4cc(C(C)C)ccc43)C2C=C1.CC(C)C1=CC2Oc3ccc(C(C)C)cc3C3(CC3)C2C=C1.CC(C)C1=CC2Oc3ccc(C(C)C)cc3OC2C=C1.CC(C)c1ccc2c(c1)-c1ccc(C(C)C)cc1C2(C)C.CC(C)c1ccc2c(c1)c1ccc(C(C)C)cc1n2S(=O)(=O)c1ccccc1.CC(C)c1ccc2c(c1)oc1ccc(C(C)C)cc12.CC(C)c1ccc2cc3cc(C(C)C)ccc3cc2c1
InChIInChI=1S/C24H25NO2S.C22H30O.C22H28.C21H24F2.C21H26O.C21H26.C20H22.C18H22O2.C18H20O/c1-16(2)18-11-13-23-22(14-18)21-12-10-19(17(3)4)15-24(21)25(23)28(26,27)20-8-6-5-7-9-20;1-21(2,3)17-11-12-19-16(13-17)8-7-15-9-10-18(22(4,5)6)14-20(15)23-19;1-13(2)15-5-7-17-20-10-9-19(21(17)11-15)18-8-6-16(14(3)4)12-22(18)20;1-19(2,3)13-8-10-17-16(11-13)15-9-7-14(20(4,5)6)12-18(15)21(17,22)23;1-13(2)15-6-8-19-18(11-15)21(9-10-21)17-7-5-16(14(3)4)12-20(17)22-19;1-13(2)15-8-10-19-18(11-15)17-9-7-16(14(3)4)12-20(17)21(19,5)6;1-13(2)15-5-7-17-12-20-10-16(14(3)4)6-8-18(20)11-19(17)9-15;1-11(2)13-5-7-15-17(9-13)19-16-8-6-14(12(3)4)10-18(16)20-15;1-11(2)13-6-8-17-16(9-13)15-7-5-14(12(3)4)10-18(15)19-17/h5-17H,1-4H3;9-15,20H,7-8H2,1-6H3;5-8,11-14,17,19-21H,9-10H2,1-4H3;7-12H,1-6H3;5-8,11-14,17,20H,9-10H2,1-4H3;7-14H,1-6H3;5-14H,1-4H3;5-12,15,17H,1-4H3;5-12H,1-4H3
InChIKeyZTAQBRWBFPZNFY-UHFFFAOYSA-N
XLogP52.84
TPSA89.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms198
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002666.90
LogP ≤ 552.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 9-(benzenesulfonyl)-2,6-di(propan-2-yl)carbazole;3,9-ditert-butyl-5,6,6a,10a-tetrahydrobenzo[b][1]benzoxepine;2,6-ditert-butyl-9,9-difluorofluorene;9,9-dimethyl-2,6-di(propan-2-yl)fluorene;2,7-di(propan-2-yl)-4a,10a-dihydrodibenzo-p-dioxin;2,6-di(propan-2-yl)anthracene;2,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)spiro[4a,9a-dihydroxanthene-9,1'-cyclopropane];4,11-di(propan-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,10,12-pentaene with MolForge

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Related Compounds

(3S)-3-[[2-(2-methoxynaphthalen-1-yl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)indol-3-yl]methyl]-3-methyl-2H-inden-1-one
CID 164683406
9-(Benzenesulfonyl)-2,6-di(propan-2-yl)carbazole;3,9-ditert-butyl-5,6,6a,10a-tetrahydrobenzo[b][1]benzoxepine;2,6-ditert-butyl-9,9-difluorofluorene;9,9-dimethyl-2,6-di(propan-2-yl)fluorene;2,7-di(propan-2-yl)-4a,10a-dihydrodibenzo-p-dioxin;2,6-di(propan-2-yl)anthracene;2,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)spiro[4a,9a-dihydroxanthene-9,1'-cyclopropane];4,11-di(propan-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,10,12-pentaene;9-(2-methoxyethyl)-2,6-di(propan-2-yl)carbazole
CID 158220087
9-(Benzenesulfonyl)-2,6-di(propan-2-yl)carbazole;9,9-difluoro-2,6-di(propan-2-yl)fluorene;9,9-dimethyl-2,6-di(propan-2-yl)fluorene;2,7-di(propan-2-yl)-4a,10a-dihydrodibenzo-p-dioxin;3,9-di(propan-2-yl)-5,6,6a,10a-tetrahydrobenzo[b][1]benzoxepine;2,6-di(propan-2-yl)anthracene;2,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)spiro[4a,9a-dihydroxanthene-9,1'-cyclopropane];4,11-di(propan-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,10,12-pentaene;9-(2-methoxyethyl)-2,6-di(propan-2-yl)carbazole
CID 159412794
(3S)-3-methyl-3-[[1-(4-methylphenyl)sulfonyl-2-(2-phenylmethoxynaphthalen-1-yl)indol-3-yl]methyl]-2H-inden-1-one
CID 164683409
8-(1a,9b-Dihydrophenanthro[9,10-b]oxiren-7-yl)-30-dibenzofuran-2-yl-5,5,33,33-tetramethyl-19-phenyl-19-azanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 157619124

Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-2,6-di(propan-2-yl)carbazole;3,9-ditert-butyl-5,6,6a,10a-tetrahydrobenzo[b][1]benzoxepine;2,6-ditert-butyl-9,9-difluorofluorene;9,9-dimethyl-2,6-di(propan-2-yl)fluorene;2,7-di(propan-2-yl)-4a,10a-dihydrodibenzo-p-dioxin;2,6-di(propan-2-yl)anthracene;2,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)spiro[4a,9a-dihydroxanthene-9,1'-cyclopropane];4,11-di(propan-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,10,12-pentaene?
The IUPAC name of 9-(benzenesulfonyl)-2,6-di(propan-2-yl)carbazole;3,9-ditert-butyl-5,6,6a,10a-tetrahydrobenzo[b][1]benzoxepine;2,6-ditert-butyl-9,9-difluorofluorene;9,9-dimethyl-2,6-di(propan-2-yl)fluorene;2,7-di(propan-2-yl)-4a,10a-dihydrodibenzo-p-dioxin;2,6-di(propan-2-yl)anthracene;2,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)spiro[4a,9a-dihydroxanthene-9,1'-cyclopropane];4,11-di(propan-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,10,12-pentaene (CID 162212505) is 9-(benzenesulfonyl)-2,6-di(propan-2-yl)carbazole;3,9-ditert-butyl-5,6,6a,10a-tetrahydrobenzo[b][1]benzoxepine;2,6-ditert-butyl-9,9-difluorofluorene;9,9-dimethyl-2,6-di(propan-2-yl)fluorene;2,7-di(propan-2-yl)-4a,10a-dihydrodibenzo-p-dioxin;2,6-di(propan-2-yl)anthracene;2,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)spiro[4a,9a-dihydroxanthene-9,1'-cyclopropane];4,11-di(propan-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,10,12-pentaene.
What is the SMILES notation for 9-(benzenesulfonyl)-2,6-di(propan-2-yl)carbazole;3,9-ditert-butyl-5,6,6a,10a-tetrahydrobenzo[b][1]benzoxepine;2,6-ditert-butyl-9,9-difluorofluorene;9,9-dimethyl-2,6-di(propan-2-yl)fluorene;2,7-di(propan-2-yl)-4a,10a-dihydrodibenzo-p-dioxin;2,6-di(propan-2-yl)anthracene;2,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)spiro[4a,9a-dihydroxanthene-9,1'-cyclopropane];4,11-di(propan-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,10,12-pentaene?
The canonical SMILES for 9-(benzenesulfonyl)-2,6-di(propan-2-yl)carbazole;3,9-ditert-butyl-5,6,6a,10a-tetrahydrobenzo[b][1]benzoxepine;2,6-ditert-butyl-9,9-difluorofluorene;9,9-dimethyl-2,6-di(propan-2-yl)fluorene;2,7-di(propan-2-yl)-4a,10a-dihydrodibenzo-p-dioxin;2,6-di(propan-2-yl)anthracene;2,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)spiro[4a,9a-dihydroxanthene-9,1'-cyclopropane];4,11-di(propan-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,10,12-pentaene is CC(C)(C)C1=CC2Oc3ccc(C(C)(C)C)cc3CCC2C=C1.CC(C)(C)c1ccc2c(c1)-c1ccc(C(C)(C)C)cc1C2(F)F.CC(C)C1=CC2C3CCC(c4cc(C(C)C)ccc43)C2C=C1.CC(C)C1=CC2Oc3ccc(C(C)C)cc3C3(CC3)C2C=C1.CC(C)C1=CC2Oc3ccc(C(C)C)cc3OC2C=C1.CC(C)c1ccc2c(c1)-c1ccc(C(C)C)cc1C2(C)C.CC(C)c1ccc2c(c1)c1ccc(C(C)C)cc1n2S(=O)(=O)c1ccccc1.CC(C)c1ccc2c(c1)oc1ccc(C(C)C)cc12.CC(C)c1ccc2cc3cc(C(C)C)ccc3cc2c1.
What is the InChIKey of 9-(benzenesulfonyl)-2,6-di(propan-2-yl)carbazole;3,9-ditert-butyl-5,6,6a,10a-tetrahydrobenzo[b][1]benzoxepine;2,6-ditert-butyl-9,9-difluorofluorene;9,9-dimethyl-2,6-di(propan-2-yl)fluorene;2,7-di(propan-2-yl)-4a,10a-dihydrodibenzo-p-dioxin;2,6-di(propan-2-yl)anthracene;2,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)spiro[4a,9a-dihydroxanthene-9,1'-cyclopropane];4,11-di(propan-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,10,12-pentaene?
The InChIKey is ZTAQBRWBFPZNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2S.C22H30O.C22H28.C21H24F2.C21H26O.C21H26.C20H22.C18H22O2.C18H20O/c1-16(2)18-11-13-23-22(14-18)21-12-10-19(17(3)4)15-24(21)25(23)28(26,27)20-8-6-5-7-9-20;1-21(2,3)17-11-12-19-16(13-17)8-7-15-9-10-18(22(4,5)6)14-20(15)23-19;1-13(2)15-5-7-17-20-10-9-19(21(17)11-15)18-8-6-16(14(3)4)12-22(18)20;1-19(2,3)13-8-10-17-16(11-13)15-9-7-14(20(4,5)6)12-18(15)21(17,22)23;1-13(2)15-6-8-19-18(11-15)21(9-10-21)17-7-5-16(14(3)4)12-20(17)22-19;1-13(2)15-8-10-19-18(11-15)17-9-7-16(14(3)4)12-20(17)21(19,5)6;1-13(2)15-5-7-17-12-20-10-16(14(3)4)6-8-18(20)11-19(17)9-15;1-11(2)13-5-7-15-17(9-13)19-16-8-6-14(12(3)4)10-18(16)20-15;1-11(2)13-6-8-17-16(9-13)15-7-5-14(12(3)4)10-18(15)19-17/h5-17H,1-4H3;9-15,20H,7-8H2,1-6H3;5-8,11-14,17,19-21H,9-10H2,1-4H3;7-12H,1-6H3;5-8,11-14,17,20H,9-10H2,1-4H3;7-14H,1-6H3;5-14H,1-4H3;5-12,15,17H,1-4H3;5-12H,1-4H3.
What are the key properties of 9-(benzenesulfonyl)-2,6-di(propan-2-yl)carbazole;3,9-ditert-butyl-5,6,6a,10a-tetrahydrobenzo[b][1]benzoxepine;2,6-ditert-butyl-9,9-difluorofluorene;9,9-dimethyl-2,6-di(propan-2-yl)fluorene;2,7-di(propan-2-yl)-4a,10a-dihydrodibenzo-p-dioxin;2,6-di(propan-2-yl)anthracene;2,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)spiro[4a,9a-dihydroxanthene-9,1'-cyclopropane];4,11-di(propan-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,10,12-pentaene?
9-(benzenesulfonyl)-2,6-di(propan-2-yl)carbazole;3,9-ditert-butyl-5,6,6a,10a-tetrahydrobenzo[b][1]benzoxepine;2,6-ditert-butyl-9,9-difluorofluorene;9,9-dimethyl-2,6-di(propan-2-yl)fluorene;2,7-di(propan-2-yl)-4a,10a-dihydrodibenzo-p-dioxin;2,6-di(propan-2-yl)anthracene;2,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)spiro[4a,9a-dihydroxanthene-9,1'-cyclopropane];4,11-di(propan-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,10,12-pentaene has a molecular weight of 2666.90 g/mol, XLogP of 52.84, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-2,6-di(propan-2-yl)carbazole;3,9-ditert-butyl-5,6,6a,10a-tetrahydrobenzo[b][1]benzoxepine;2,6-ditert-butyl-9,9-difluorofluorene;9,9-dimethyl-2,6-di(propan-2-yl)fluorene;2,7-di(propan-2-yl)-4a,10a-dihydrodibenzo-p-dioxin;2,6-di(propan-2-yl)anthracene;2,7-di(propan-2-yl)dibenzofuran;3,7-di(propan-2-yl)spiro[4a,9a-dihydroxanthene-9,1'-cyclopropane];4,11-di(propan-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,10,12-pentaene is sourced from PubChem (CID 162212505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).