6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

C56H30N2S — CID 138736477

IUPAC6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
SMILESc1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5c6sc7c(ccc8c7c7ccccc7n8-c7ccc8c9c(cccc79)-c7ccccc7-8)c6ccc54)ccc-2c13
InChIInChI=1S/C56H30N2S/c1-3-13-33-31(11-1)35-17-9-19-41-47(27-23-37(33)51(35)41)57-45-21-7-5-15-43(45)53-49(57)29-25-39-40-26-30-50-54(56(40)59-55(39)53)44-16-6-8-22-46(44)58(50)48-28-24-38-34-14-4-2-12-32(34)36-18-10-20-42(48)52(36)38/h1-30H
InChIKeyWBWXMUHASTXULF-UHFFFAOYSA-N
MW762.94 g/mol
LogP15.85
Rot. Bonds2

About 6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (PubChem CID 138736477) has the molecular formula C56H30N2S and a molecular weight of 762.94 g/mol. Its IUPAC name is 6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.

Molecular Properties

Compound Name6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
PubChem CID138736477
Molecular FormulaC56H30N2S
Molecular Weight762.94 g/mol
Exact Mass762.21
IUPAC Name6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
SMILESc1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5c6sc7c(ccc8c7c7ccccc7n8-c7ccc8c9c(cccc79)-c7ccccc7-8)c6ccc54)ccc-2c13
InChIInChI=1S/C56H30N2S/c1-3-13-33-31(11-1)35-17-9-19-41-47(27-23-37(33)51(35)41)57-45-21-7-5-15-43(45)53-49(57)29-25-39-40-26-30-50-54(56(40)59-55(39)53)44-16-6-8-22-46(44)58(50)48-28-24-38-34-14-4-2-12-32(34)36-18-10-20-42(48)52(36)38/h1-30H
InChIKeyWBWXMUHASTXULF-UHFFFAOYSA-N
XLogP15.85
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.94
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene with MolForge

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Related Compounds

6-fluoranthen-3-yl-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,23.024,29]nonacosa-1(17),2(14),3,5(13),7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 154597967
6,24-bis(4-carbazol-9-ylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736430
9-fluoranthen-3-yl-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 146341837
2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole
CID 121475489
11-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-yl-[1]benzothiolo[3,2-c]carbazole
CID 146541355
22-fluoranthen-3-yl-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,7,9,12,15(23),16,18,20,24-undecaene
CID 154986217
9-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15(23),16,18,20-undecaen-18-yl)carbazole;9-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)carbazole;9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15(23),16,18,20-undecaen-18-yl)carbazole;9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(23),2(14),3(11),4,6,8,12,15,17,19,21-undecaen-20-yl)carbazole
CID 160779352
5-(6-fluoranthen-3-ylnaphthalen-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 118581057
9-fluoranthen-3-yl-21-oxa-18-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635286
9-(4-fluoranthen-3-ylnaphthalen-1-yl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 118580972
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole
CID 118503087

Frequently Asked Questions

What is the IUPAC name of 6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?
The IUPAC name of 6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (CID 138736477) is 6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.
What is the SMILES notation for 6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?
The canonical SMILES for 6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is c1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5c6sc7c(ccc8c7c7ccccc7n8-c7ccc8c9c(cccc79)-c7ccccc7-8)c6ccc54)ccc-2c13.
What is the InChIKey of 6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?
The InChIKey is WBWXMUHASTXULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H30N2S/c1-3-13-33-31(11-1)35-17-9-19-41-47(27-23-37(33)51(35)41)57-45-21-7-5-15-43(45)53-49(57)29-25-39-40-26-30-50-54(56(40)59-55(39)53)44-16-6-8-22-46(44)58(50)48-28-24-38-34-14-4-2-12-32(34)36-18-10-20-42(48)52(36)38/h1-30H.
What are the key properties of 6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?
6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene has a molecular weight of 762.94 g/mol, XLogP of 15.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 138736477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).