3-[14,19-diphenyl-9-(9-phenylcarbazol-3-yl)-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaen-4-yl]-9-phenylcarbazole

C64H38N2S4 — CID 140932049

IUPAC3-[14,19-diphenyl-9-(9-phenylcarbazol-3-yl)-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaen-4-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc3c(s2)-c2sc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc2-c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)sc2-c2sc(-c4ccccc4)cc2-3)cc1
InChIInChI=1S/C64H38N2S4/c1-5-17-39(18-6-1)57-35-49-50-36-58(40-19-7-2-8-20-40)68-62(50)64-52(38-60(70-64)42-30-32-56-48(34-42)46-26-14-16-28-54(46)66(56)44-23-11-4-12-24-44)51-37-59(69-63(51)61(49)67-57)41-29-31-55-47(33-41)45-25-13-15-27-53(45)65(55)43-21-9-3-10-22-43/h1-38H/b50-49-,52-51-,63-61-,64-62-
InChIKeyBASVYJIHEPKWEO-ULFBAJQBSA-N
MW963.29 g/mol
LogP19.78
Rot. Bonds6

About 3-[14,19-diphenyl-9-(9-phenylcarbazol-3-yl)-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaen-4-yl]-9-phenylcarbazole

3-[14,19-diphenyl-9-(9-phenylcarbazol-3-yl)-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaen-4-yl]-9-phenylcarbazole (PubChem CID 140932049) has the molecular formula C64H38N2S4 and a molecular weight of 963.29 g/mol. Its IUPAC name is 3-[14,19-diphenyl-9-(9-phenylcarbazol-3-yl)-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaen-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[14,19-diphenyl-9-(9-phenylcarbazol-3-yl)-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaen-4-yl]-9-phenylcarbazole
PubChem CID140932049
Molecular FormulaC64H38N2S4
Molecular Weight963.29 g/mol
Exact Mass962.19
IUPAC Name3-[14,19-diphenyl-9-(9-phenylcarbazol-3-yl)-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaen-4-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc3c(s2)-c2sc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc2-c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)sc2-c2sc(-c4ccccc4)cc2-3)cc1
InChIInChI=1S/C64H38N2S4/c1-5-17-39(18-6-1)57-35-49-50-36-58(40-19-7-2-8-20-40)68-62(50)64-52(38-60(70-64)42-30-32-56-48(34-42)46-26-14-16-28-54(46)66(56)44-23-11-4-12-24-44)51-37-59(69-63(51)61(49)67-57)41-29-31-55-47(33-41)45-25-13-15-27-53(45)65(55)43-21-9-3-10-22-43/h1-38H/b50-49-,52-51-,63-61-,64-62-
InChIKeyBASVYJIHEPKWEO-ULFBAJQBSA-N
XLogP19.78
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.29
LogP ≤ 519.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[14,19-diphenyl-9-(9-phenylcarbazol-3-yl)-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaen-4-yl]-9-phenylcarbazole with MolForge

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Related Compounds

2-(9-phenylcarbazol-3-yl)-4-(4-phenylphenyl)thieno[3,2-b]indole
CID 144587911
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole
CID 177093533
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168

Frequently Asked Questions

What is the IUPAC name of 3-[14,19-diphenyl-9-(9-phenylcarbazol-3-yl)-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaen-4-yl]-9-phenylcarbazole?
The IUPAC name of 3-[14,19-diphenyl-9-(9-phenylcarbazol-3-yl)-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaen-4-yl]-9-phenylcarbazole (CID 140932049) is 3-[14,19-diphenyl-9-(9-phenylcarbazol-3-yl)-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaen-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[14,19-diphenyl-9-(9-phenylcarbazol-3-yl)-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaen-4-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[14,19-diphenyl-9-(9-phenylcarbazol-3-yl)-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaen-4-yl]-9-phenylcarbazole is c1ccc(-c2cc3c(s2)-c2sc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc2-c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)sc2-c2sc(-c4ccccc4)cc2-3)cc1.
What is the InChIKey of 3-[14,19-diphenyl-9-(9-phenylcarbazol-3-yl)-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaen-4-yl]-9-phenylcarbazole?
The InChIKey is BASVYJIHEPKWEO-ULFBAJQBSA-N. The full InChI is InChI=1S/C64H38N2S4/c1-5-17-39(18-6-1)57-35-49-50-36-58(40-19-7-2-8-20-40)68-62(50)64-52(38-60(70-64)42-30-32-56-48(34-42)46-26-14-16-28-54(46)66(56)44-23-11-4-12-24-44)51-37-59(69-63(51)61(49)67-57)41-29-31-55-47(33-41)45-25-13-15-27-53(45)65(55)43-21-9-3-10-22-43/h1-38H/b50-49-,52-51-,63-61-,64-62-.
What are the key properties of 3-[14,19-diphenyl-9-(9-phenylcarbazol-3-yl)-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaen-4-yl]-9-phenylcarbazole?
3-[14,19-diphenyl-9-(9-phenylcarbazol-3-yl)-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaen-4-yl]-9-phenylcarbazole has a molecular weight of 963.29 g/mol, XLogP of 19.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[14,19-diphenyl-9-(9-phenylcarbazol-3-yl)-3,10,13,20-tetrathiapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(17),2(6),4,7(11),8,12(16),14,18-octaen-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 140932049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).