17-dibenzothiophen-3-yl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-dimethylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-diphenylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;3-(2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)dibenzofuran

C180H112OS5 — CID 157389023

IUPAC17-dibenzothiophen-3-yl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-dimethylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-diphenylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;3-(2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)dibenzofuran
SMILESCC1(C)c2ccccc2-c2ccc(C3c4c(c5ccccc5c5ccccc45)Sc4c3c3ccccc3c3ccccc43)cc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(C4c5c(c6ccccc6c6ccccc56)Sc5c4c4ccccc4c4ccccc54)cc32)cc1.c1ccc2c(c1)oc1cc(C3c4c(c5ccccc5c5ccccc45)Sc4c3c3ccccc3c3ccccc43)ccc12.c1ccc2c(c1)sc1cc(C3c4c(c5ccccc5c5ccccc45)Sc4c3c3ccccc3c3ccccc43)ccc12
InChIInChI=1S/C54H34S.C44H30S.C41H24OS.C41H24S2/c1-3-17-35(18-4-1)54(36-19-5-2-6-20-36)47-30-16-15-25-41(47)42-32-31-34(33-48(42)54)49-50-43-26-11-7-21-37(43)39-23-9-13-28-45(39)52(50)55-53-46-29-14-10-24-40(46)38-22-8-12-27-44(38)51(49)53;1-44(2)37-22-12-11-17-31(37)32-24-23-26(25-38(32)44)39-40-33-18-7-3-13-27(33)29-15-5-9-20-35(29)42(40)45-43-36-21-10-6-16-30(36)28-14-4-8-19-34(28)41(39)43;2*1-5-16-31-25(11-1)27-13-3-7-18-33(27)40-38(31)37(24-21-22-30-29-15-9-10-20-35(29)42-36(30)23-24)39-32-17-6-2-12-26(32)28-14-4-8-19-34(28)41(39)43-40/h1-33,49H;3-25,39H,1-2H3;2*1-23,37H
InChIKeyBLTUFUXWSLYRHD-UHFFFAOYSA-N
MW2451.21 g/mol
LogP50.71
Rot. Bonds6

About 17-dibenzothiophen-3-yl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-dimethylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-diphenylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;3-(2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)dibenzofuran

17-dibenzothiophen-3-yl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-dimethylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-diphenylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;3-(2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)dibenzofuran (PubChem CID 157389023) has the molecular formula C180H112OS5 and a molecular weight of 2451.21 g/mol. Its IUPAC name is 17-dibenzothiophen-3-yl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-dimethylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-diphenylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;3-(2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)dibenzofuran.

Molecular Properties

Compound Name17-dibenzothiophen-3-yl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-dimethylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-diphenylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;3-(2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)dibenzofuran
PubChem CID157389023
Molecular FormulaC180H112OS5
Molecular Weight2451.21 g/mol
Exact Mass2448.73
IUPAC Name17-dibenzothiophen-3-yl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-dimethylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-diphenylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;3-(2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)dibenzofuran
SMILESCC1(C)c2ccccc2-c2ccc(C3c4c(c5ccccc5c5ccccc45)Sc4c3c3ccccc3c3ccccc43)cc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(C4c5c(c6ccccc6c6ccccc56)Sc5c4c4ccccc4c4ccccc54)cc32)cc1.c1ccc2c(c1)oc1cc(C3c4c(c5ccccc5c5ccccc45)Sc4c3c3ccccc3c3ccccc43)ccc12.c1ccc2c(c1)sc1cc(C3c4c(c5ccccc5c5ccccc45)Sc4c3c3ccccc3c3ccccc43)ccc12
InChIInChI=1S/C54H34S.C44H30S.C41H24OS.C41H24S2/c1-3-17-35(18-4-1)54(36-19-5-2-6-20-36)47-30-16-15-25-41(47)42-32-31-34(33-48(42)54)49-50-43-26-11-7-21-37(43)39-23-9-13-28-45(39)52(50)55-53-46-29-14-10-24-40(46)38-22-8-12-27-44(38)51(49)53;1-44(2)37-22-12-11-17-31(37)32-24-23-26(25-38(32)44)39-40-33-18-7-3-13-27(33)29-15-5-9-20-35(29)42(40)45-43-36-21-10-6-16-30(36)28-14-4-8-19-34(28)41(39)43;2*1-5-16-31-25(11-1)27-13-3-7-18-33(27)40-38(31)37(24-21-22-30-29-15-9-10-20-35(29)42-36(30)23-24)39-32-17-6-2-12-26(32)28-14-4-8-19-34(28)41(39)43-40/h1-33,49H;3-25,39H,1-2H3;2*1-23,37H
InChIKeyBLTUFUXWSLYRHD-UHFFFAOYSA-N
XLogP50.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms186
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002451.21
LogP ≤ 550.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17-dibenzothiophen-3-yl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-dimethylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-diphenylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;3-(2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)dibenzofuran with MolForge

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Related Compounds

17-(9,9-diphenylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene
CID 146578675
2-N-dibenzofuran-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;2-N-dibenzothiophen-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 159611762
7-N-dibenzofuran-3-yl-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;7-N-dibenzothiophen-3-yl-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157280557
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-3-amine
CID 130463385
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 157349441
N,N-bis(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-4-amine;N-(11,11-dimethylbenzo[a]fluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(11,11-dimethylbenzo[a]fluoren-4-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-4-amine
CID 162257525
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yldibenzofuran-3-amine
CID 130463526
8-N,22-N-di(dibenzothiophen-3-yl)-8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-15-oxa-5,25-dithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 170235118
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 157101340
2-dibenzofuran-2-yl-4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 165059295
4-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-(9,9-diphenylfluoren-2-yl)pyrimidine
CID 171602444
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 158809478

Frequently Asked Questions

What is the IUPAC name of 17-dibenzothiophen-3-yl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-dimethylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-diphenylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;3-(2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)dibenzofuran?
The IUPAC name of 17-dibenzothiophen-3-yl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-dimethylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-diphenylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;3-(2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)dibenzofuran (CID 157389023) is 17-dibenzothiophen-3-yl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-dimethylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-diphenylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;3-(2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)dibenzofuran.
What is the SMILES notation for 17-dibenzothiophen-3-yl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-dimethylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-diphenylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;3-(2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)dibenzofuran?
The canonical SMILES for 17-dibenzothiophen-3-yl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-dimethylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-diphenylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;3-(2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)dibenzofuran is CC1(C)c2ccccc2-c2ccc(C3c4c(c5ccccc5c5ccccc45)Sc4c3c3ccccc3c3ccccc43)cc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(C4c5c(c6ccccc6c6ccccc56)Sc5c4c4ccccc4c4ccccc54)cc32)cc1.c1ccc2c(c1)oc1cc(C3c4c(c5ccccc5c5ccccc45)Sc4c3c3ccccc3c3ccccc43)ccc12.c1ccc2c(c1)sc1cc(C3c4c(c5ccccc5c5ccccc45)Sc4c3c3ccccc3c3ccccc43)ccc12.
What is the InChIKey of 17-dibenzothiophen-3-yl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-dimethylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-diphenylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;3-(2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)dibenzofuran?
The InChIKey is BLTUFUXWSLYRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34S.C44H30S.C41H24OS.C41H24S2/c1-3-17-35(18-4-1)54(36-19-5-2-6-20-36)47-30-16-15-25-41(47)42-32-31-34(33-48(42)54)49-50-43-26-11-7-21-37(43)39-23-9-13-28-45(39)52(50)55-53-46-29-14-10-24-40(46)38-22-8-12-27-44(38)51(49)53;1-44(2)37-22-12-11-17-31(37)32-24-23-26(25-38(32)44)39-40-33-18-7-3-13-27(33)29-15-5-9-20-35(29)42(40)45-43-36-21-10-6-16-30(36)28-14-4-8-19-34(28)41(39)43;2*1-5-16-31-25(11-1)27-13-3-7-18-33(27)40-38(31)37(24-21-22-30-29-15-9-10-20-35(29)42-36(30)23-24)39-32-17-6-2-12-26(32)28-14-4-8-19-34(28)41(39)43-40/h1-33,49H;3-25,39H,1-2H3;2*1-23,37H.
What are the key properties of 17-dibenzothiophen-3-yl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-dimethylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-diphenylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;3-(2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)dibenzofuran?
17-dibenzothiophen-3-yl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-dimethylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-diphenylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;3-(2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)dibenzofuran has a molecular weight of 2451.21 g/mol, XLogP of 50.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 17-dibenzothiophen-3-yl-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-dimethylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(9,9-diphenylfluoren-2-yl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;3-(2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)dibenzofuran is sourced from PubChem (CID 157389023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).