15,23-di(dibenzothiophen-4-yl)spiro[15,23-diazanonacyclo[18.15.0.02,18.04,16.05,14.06,11.022,34.024,33.027,32]pentatriaconta-1(20),2(18),3,5(14),6,8,10,12,16,21,24(33),25,27,29,31,34-hexadecaene-19,9'-fluorene]

C69H38N2S2 — CID 137457126

IUPAC15,23-di(dibenzothiophen-4-yl)spiro[15,23-diazanonacyclo[18.15.0.02,18.04,16.05,14.06,11.022,34.024,33.027,32]pentatriaconta-1(20),2(18),3,5(14),6,8,10,12,16,21,24(33),25,27,29,31,34-hexadecaene-19,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc3c(cc2-c2cc4c5c6ccccc6ccc5n(-c5cccc6c5sc5ccccc56)c4cc21)c1c2ccccc2ccc1n3-c1cccc2c1sc1ccccc12
InChIInChI=1S/C69H38N2S2/c1-3-17-41-39(15-1)31-33-57-65(41)51-35-49-50-36-52-62(71(58-34-32-40-16-2-4-18-42(40)66(52)58)60-28-14-24-48-46-22-8-12-30-64(46)73-68(48)60)38-56(50)69(53-25-9-5-19-43(53)44-20-6-10-26-54(44)69)55(49)37-61(51)70(57)59-27-13-23-47-45-21-7-11-29-63(45)72-67(47)59/h1-38H
InChIKeyCOYFSGIEBHQVFM-UHFFFAOYSA-N
MW959.21 g/mol
LogP19.27
Rot. Bonds2

About 15,23-di(dibenzothiophen-4-yl)spiro[15,23-diazanonacyclo[18.15.0.02,18.04,16.05,14.06,11.022,34.024,33.027,32]pentatriaconta-1(20),2(18),3,5(14),6,8,10,12,16,21,24(33),25,27,29,31,34-hexadecaene-19,9'-fluorene]

15,23-di(dibenzothiophen-4-yl)spiro[15,23-diazanonacyclo[18.15.0.02,18.04,16.05,14.06,11.022,34.024,33.027,32]pentatriaconta-1(20),2(18),3,5(14),6,8,10,12,16,21,24(33),25,27,29,31,34-hexadecaene-19,9'-fluorene] (PubChem CID 137457126) has the molecular formula C69H38N2S2 and a molecular weight of 959.21 g/mol. Its IUPAC name is 15,23-di(dibenzothiophen-4-yl)spiro[15,23-diazanonacyclo[18.15.0.02,18.04,16.05,14.06,11.022,34.024,33.027,32]pentatriaconta-1(20),2(18),3,5(14),6,8,10,12,16,21,24(33),25,27,29,31,34-hexadecaene-19,9'-fluorene].

Molecular Properties

Compound Name15,23-di(dibenzothiophen-4-yl)spiro[15,23-diazanonacyclo[18.15.0.02,18.04,16.05,14.06,11.022,34.024,33.027,32]pentatriaconta-1(20),2(18),3,5(14),6,8,10,12,16,21,24(33),25,27,29,31,34-hexadecaene-19,9'-fluorene]
PubChem CID137457126
Molecular FormulaC69H38N2S2
Molecular Weight959.21 g/mol
Exact Mass958.25
IUPAC Name15,23-di(dibenzothiophen-4-yl)spiro[15,23-diazanonacyclo[18.15.0.02,18.04,16.05,14.06,11.022,34.024,33.027,32]pentatriaconta-1(20),2(18),3,5(14),6,8,10,12,16,21,24(33),25,27,29,31,34-hexadecaene-19,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc3c(cc2-c2cc4c5c6ccccc6ccc5n(-c5cccc6c5sc5ccccc56)c4cc21)c1c2ccccc2ccc1n3-c1cccc2c1sc1ccccc12
InChIInChI=1S/C69H38N2S2/c1-3-17-41-39(15-1)31-33-57-65(41)51-35-49-50-36-52-62(71(58-34-32-40-16-2-4-18-42(40)66(52)58)60-28-14-24-48-46-22-8-12-30-64(46)73-68(48)60)38-56(50)69(53-25-9-5-19-43(53)44-20-6-10-26-54(44)69)55(49)37-61(51)70(57)59-27-13-23-47-45-21-7-11-29-63(45)72-67(47)59/h1-38H
InChIKeyCOYFSGIEBHQVFM-UHFFFAOYSA-N
XLogP19.27
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.21
LogP ≤ 519.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15,23-di(dibenzothiophen-4-yl)spiro[15,23-diazanonacyclo[18.15.0.02,18.04,16.05,14.06,11.022,34.024,33.027,32]pentatriaconta-1(20),2(18),3,5(14),6,8,10,12,16,21,24(33),25,27,29,31,34-hexadecaene-19,9'-fluorene] with MolForge

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Related Compounds

CID 134551803
CID 134551803
5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole
CID 90057155
12-(9-deuteriodibenzothiophen-4-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 167380196
5'-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 155160175
CID 134551919
CID 134551919
N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168766671
4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene
CID 102194736
4-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene]-5'-yldibenzothiophene
CID 122413296
10-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole;3-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 158568095
N-[2-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118086603
N-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118462505
4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzothiophene
CID 87688456

Frequently Asked Questions

What is the IUPAC name of 15,23-di(dibenzothiophen-4-yl)spiro[15,23-diazanonacyclo[18.15.0.02,18.04,16.05,14.06,11.022,34.024,33.027,32]pentatriaconta-1(20),2(18),3,5(14),6,8,10,12,16,21,24(33),25,27,29,31,34-hexadecaene-19,9'-fluorene]?
The IUPAC name of 15,23-di(dibenzothiophen-4-yl)spiro[15,23-diazanonacyclo[18.15.0.02,18.04,16.05,14.06,11.022,34.024,33.027,32]pentatriaconta-1(20),2(18),3,5(14),6,8,10,12,16,21,24(33),25,27,29,31,34-hexadecaene-19,9'-fluorene] (CID 137457126) is 15,23-di(dibenzothiophen-4-yl)spiro[15,23-diazanonacyclo[18.15.0.02,18.04,16.05,14.06,11.022,34.024,33.027,32]pentatriaconta-1(20),2(18),3,5(14),6,8,10,12,16,21,24(33),25,27,29,31,34-hexadecaene-19,9'-fluorene].
What is the SMILES notation for 15,23-di(dibenzothiophen-4-yl)spiro[15,23-diazanonacyclo[18.15.0.02,18.04,16.05,14.06,11.022,34.024,33.027,32]pentatriaconta-1(20),2(18),3,5(14),6,8,10,12,16,21,24(33),25,27,29,31,34-hexadecaene-19,9'-fluorene]?
The canonical SMILES for 15,23-di(dibenzothiophen-4-yl)spiro[15,23-diazanonacyclo[18.15.0.02,18.04,16.05,14.06,11.022,34.024,33.027,32]pentatriaconta-1(20),2(18),3,5(14),6,8,10,12,16,21,24(33),25,27,29,31,34-hexadecaene-19,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2cc3c(cc2-c2cc4c5c6ccccc6ccc5n(-c5cccc6c5sc5ccccc56)c4cc21)c1c2ccccc2ccc1n3-c1cccc2c1sc1ccccc12.
What is the InChIKey of 15,23-di(dibenzothiophen-4-yl)spiro[15,23-diazanonacyclo[18.15.0.02,18.04,16.05,14.06,11.022,34.024,33.027,32]pentatriaconta-1(20),2(18),3,5(14),6,8,10,12,16,21,24(33),25,27,29,31,34-hexadecaene-19,9'-fluorene]?
The InChIKey is COYFSGIEBHQVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H38N2S2/c1-3-17-41-39(15-1)31-33-57-65(41)51-35-49-50-36-52-62(71(58-34-32-40-16-2-4-18-42(40)66(52)58)60-28-14-24-48-46-22-8-12-30-64(46)73-68(48)60)38-56(50)69(53-25-9-5-19-43(53)44-20-6-10-26-54(44)69)55(49)37-61(51)70(57)59-27-13-23-47-45-21-7-11-29-63(45)72-67(47)59/h1-38H.
What are the key properties of 15,23-di(dibenzothiophen-4-yl)spiro[15,23-diazanonacyclo[18.15.0.02,18.04,16.05,14.06,11.022,34.024,33.027,32]pentatriaconta-1(20),2(18),3,5(14),6,8,10,12,16,21,24(33),25,27,29,31,34-hexadecaene-19,9'-fluorene]?
15,23-di(dibenzothiophen-4-yl)spiro[15,23-diazanonacyclo[18.15.0.02,18.04,16.05,14.06,11.022,34.024,33.027,32]pentatriaconta-1(20),2(18),3,5(14),6,8,10,12,16,21,24(33),25,27,29,31,34-hexadecaene-19,9'-fluorene] has a molecular weight of 959.21 g/mol, XLogP of 19.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15,23-di(dibenzothiophen-4-yl)spiro[15,23-diazanonacyclo[18.15.0.02,18.04,16.05,14.06,11.022,34.024,33.027,32]pentatriaconta-1(20),2(18),3,5(14),6,8,10,12,16,21,24(33),25,27,29,31,34-hexadecaene-19,9'-fluorene] is sourced from PubChem (CID 137457126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).