9-[9,14-di(carbazol-9-yl)-5,10,15-triphenyl-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole;9-[9,14-di(carbazol-9-yl)-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole

C114H66N6S6 — CID 160993480

IUPAC9-[9,14-di(carbazol-9-yl)-5,10,15-triphenyl-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole;9-[9,14-di(carbazol-9-yl)-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole
SMILESc1ccc(-c2c(-n3c4ccccc4c4ccccc43)sc3c2c2sc(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)c2c2sc(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)c32)cc1.c1ccc2c(c1)c1ccccc1n2-c1cc2c(s1)c1cc(-n3c4ccccc4c4ccccc43)sc1c1cc(-n3c4ccccc4c4ccccc43)sc21
InChIInChI=1S/C66H39N3S3.C48H27N3S3/c1-4-22-40(23-5-1)55-58-61(70-64(55)67-49-34-16-10-28-43(49)44-29-11-17-35-50(44)67)59-56(41-24-6-2-7-25-41)66(69-53-38-20-14-32-47(53)48-33-15-21-39-54(48)69)72-63(59)60-57(42-26-8-3-9-27-42)65(71-62(58)60)68-51-36-18-12-30-45(51)46-31-13-19-37-52(46)68;1-7-19-37-28(13-1)29-14-2-8-20-38(29)49(37)43-25-34-46(52-43)35-26-44(50-39-21-9-3-15-30(39)31-16-4-10-22-40(31)50)54-48(35)36-27-45(53-47(34)36)51-41-23-11-5-17-32(41)33-18-6-12-24-42(33)51/h1-39H;1-27H
InChIKeyTUXZBVFPNFLTJT-UHFFFAOYSA-N
MW1712.23 g/mol
LogP34.24
Rot. Bonds9

About 9-[9,14-di(carbazol-9-yl)-5,10,15-triphenyl-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole;9-[9,14-di(carbazol-9-yl)-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole

9-[9,14-di(carbazol-9-yl)-5,10,15-triphenyl-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole;9-[9,14-di(carbazol-9-yl)-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole (PubChem CID 160993480) has the molecular formula C114H66N6S6 and a molecular weight of 1712.23 g/mol. Its IUPAC name is 9-[9,14-di(carbazol-9-yl)-5,10,15-triphenyl-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole;9-[9,14-di(carbazol-9-yl)-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole.

Molecular Properties

Compound Name9-[9,14-di(carbazol-9-yl)-5,10,15-triphenyl-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole;9-[9,14-di(carbazol-9-yl)-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole
PubChem CID160993480
Molecular FormulaC114H66N6S6
Molecular Weight1712.23 g/mol
Exact Mass1710.37
IUPAC Name9-[9,14-di(carbazol-9-yl)-5,10,15-triphenyl-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole;9-[9,14-di(carbazol-9-yl)-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole
SMILESc1ccc(-c2c(-n3c4ccccc4c4ccccc43)sc3c2c2sc(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)c2c2sc(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)c32)cc1.c1ccc2c(c1)c1ccccc1n2-c1cc2c(s1)c1cc(-n3c4ccccc4c4ccccc43)sc1c1cc(-n3c4ccccc4c4ccccc43)sc21
InChIInChI=1S/C66H39N3S3.C48H27N3S3/c1-4-22-40(23-5-1)55-58-61(70-64(55)67-49-34-16-10-28-43(49)44-29-11-17-35-50(44)67)59-56(41-24-6-2-7-25-41)66(69-53-38-20-14-32-47(53)48-33-15-21-39-54(48)69)72-63(59)60-57(42-26-8-3-9-27-42)65(71-62(58)60)68-51-36-18-12-30-45(51)46-31-13-19-37-52(46)68;1-7-19-37-28(13-1)29-14-2-8-20-38(29)49(37)43-25-34-46(52-43)35-26-44(50-39-21-9-3-15-30(39)31-16-4-10-22-40(31)50)54-48(35)36-27-45(53-47(34)36)51-41-23-11-5-17-32(41)33-18-6-12-24-42(33)51/h1-39H;1-27H
InChIKeyTUXZBVFPNFLTJT-UHFFFAOYSA-N
XLogP34.24
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001712.23
LogP ≤ 534.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[9,14-di(carbazol-9-yl)-5,10,15-triphenyl-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole;9-[9,14-di(carbazol-9-yl)-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole with MolForge

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Related Compounds

7,12-diphenyl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole
CID 134530394
4-carbazol-9-yl-5-phenyl-3-thia-1-azahexacyclo[9.9.2.02,6.07,22.014,21.015,20]docosa-2(6),4,7,9,11(22),12,14(21),15,17,19-decaene
CID 176682161
3-bromo-9-(5-phenylthiophen-2-yl)carbazole
CID 139271955
9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729209
3,15,25,37-tetraphenyl-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene
CID 146512315
9-[4-[1,6-bis(4-carbazol-9-ylphenyl)-2,3,7,8-tetraphenyldibenzothiophen-4-yl]phenyl]carbazole
CID 89419751
9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylthieno[2,3-f][1]benzothiol-7-yl]phenyl]carbazole
CID 175976686
methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 158753053
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
2-phenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzothiophene-1,3-dicarbonitrile
CID 146563528
3,6-bis(9-phenylcarbazol-3-yl)-9-(5-phenylthiophen-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]carbazole
CID 161117587
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267

Frequently Asked Questions

What is the IUPAC name of 9-[9,14-di(carbazol-9-yl)-5,10,15-triphenyl-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole;9-[9,14-di(carbazol-9-yl)-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole?
The IUPAC name of 9-[9,14-di(carbazol-9-yl)-5,10,15-triphenyl-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole;9-[9,14-di(carbazol-9-yl)-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole (CID 160993480) is 9-[9,14-di(carbazol-9-yl)-5,10,15-triphenyl-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole;9-[9,14-di(carbazol-9-yl)-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole.
What is the SMILES notation for 9-[9,14-di(carbazol-9-yl)-5,10,15-triphenyl-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole;9-[9,14-di(carbazol-9-yl)-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole?
The canonical SMILES for 9-[9,14-di(carbazol-9-yl)-5,10,15-triphenyl-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole;9-[9,14-di(carbazol-9-yl)-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole is c1ccc(-c2c(-n3c4ccccc4c4ccccc43)sc3c2c2sc(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)c2c2sc(-n4c5ccccc5c5ccccc54)c(-c4ccccc4)c32)cc1.c1ccc2c(c1)c1ccccc1n2-c1cc2c(s1)c1cc(-n3c4ccccc4c4ccccc43)sc1c1cc(-n3c4ccccc4c4ccccc43)sc21.
What is the InChIKey of 9-[9,14-di(carbazol-9-yl)-5,10,15-triphenyl-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole;9-[9,14-di(carbazol-9-yl)-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole?
The InChIKey is TUXZBVFPNFLTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H39N3S3.C48H27N3S3/c1-4-22-40(23-5-1)55-58-61(70-64(55)67-49-34-16-10-28-43(49)44-29-11-17-35-50(44)67)59-56(41-24-6-2-7-25-41)66(69-53-38-20-14-32-47(53)48-33-15-21-39-54(48)69)72-63(59)60-57(42-26-8-3-9-27-42)65(71-62(58)60)68-51-36-18-12-30-45(51)46-31-13-19-37-52(46)68;1-7-19-37-28(13-1)29-14-2-8-20-38(29)49(37)43-25-34-46(52-43)35-26-44(50-39-21-9-3-15-30(39)31-16-4-10-22-40(31)50)54-48(35)36-27-45(53-47(34)36)51-41-23-11-5-17-32(41)33-18-6-12-24-42(33)51/h1-39H;1-27H.
What are the key properties of 9-[9,14-di(carbazol-9-yl)-5,10,15-triphenyl-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole;9-[9,14-di(carbazol-9-yl)-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole?
9-[9,14-di(carbazol-9-yl)-5,10,15-triphenyl-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole;9-[9,14-di(carbazol-9-yl)-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole has a molecular weight of 1712.23 g/mol, XLogP of 34.24, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9,14-di(carbazol-9-yl)-5,10,15-triphenyl-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole;9-[9,14-di(carbazol-9-yl)-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-4-yl]carbazole is sourced from PubChem (CID 160993480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).