10-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole

C132H80N10S2 — CID 160750252

IUPAC10-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c7sc7c8ccc8c9ccccc9n(-c9ccccc9)c87)ccc65)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5ccc(-n6c7ccccc7c7cc(-c8cccc9c8sc8c9ccc9c%10ccccc%10n(-c%10ccccc%10)c98)ccc76)cc5c4c3)n2)cc1
InChIInChI=1S/C69H41N5S.C63H39N5S/c1-4-17-42(18-5-1)67-70-68(43-19-6-2-7-20-43)72-69(71-67)45-31-34-51-49-23-10-11-24-50(49)52-35-33-47(41-59(52)58(51)40-45)73-61-29-14-13-26-54(61)60-39-44(32-38-63(60)73)48-27-16-28-56-57-37-36-55-53-25-12-15-30-62(53)74(46-21-8-3-9-22-46)64(55)66(57)75-65(48)56;1-4-15-42(16-5-1)61-64-62(43-17-6-2-7-18-43)66-63(65-61)44-29-27-40(28-30-44)41-31-34-47(35-32-41)67-55-25-12-11-22-50(55)54-39-45(33-38-57(54)67)48-23-14-24-52-53-37-36-51-49-21-10-13-26-56(49)68(46-19-8-3-9-20-46)58(51)60(53)69-59(48)52/h1-41H;1-39H
InChIKeyRWSKANMFWQFQDX-UHFFFAOYSA-N
MW1870.30 g/mol
LogP35.33
Rot. Bonds13

About 10-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole

10-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole (PubChem CID 160750252) has the molecular formula C132H80N10S2 and a molecular weight of 1870.30 g/mol. Its IUPAC name is 10-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name10-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
PubChem CID160750252
Molecular FormulaC132H80N10S2
Molecular Weight1870.30 g/mol
Exact Mass1868.60
IUPAC Name10-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c7sc7c8ccc8c9ccccc9n(-c9ccccc9)c87)ccc65)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5ccc(-n6c7ccccc7c7cc(-c8cccc9c8sc8c9ccc9c%10ccccc%10n(-c%10ccccc%10)c98)ccc76)cc5c4c3)n2)cc1
InChIInChI=1S/C69H41N5S.C63H39N5S/c1-4-17-42(18-5-1)67-70-68(43-19-6-2-7-20-43)72-69(71-67)45-31-34-51-49-23-10-11-24-50(49)52-35-33-47(41-59(52)58(51)40-45)73-61-29-14-13-26-54(61)60-39-44(32-38-63(60)73)48-27-16-28-56-57-37-36-55-53-25-12-15-30-62(53)74(46-21-8-3-9-22-46)64(55)66(57)75-65(48)56;1-4-15-42(16-5-1)61-64-62(43-17-6-2-7-18-43)66-63(65-61)44-29-27-40(28-30-44)41-31-34-47(35-32-41)67-55-25-12-11-22-50(55)54-39-45(33-38-57(54)67)48-23-14-24-52-53-37-36-51-49-21-10-13-26-56(49)68(46-19-8-3-9-20-46)58(51)60(53)69-59(48)52/h1-41H;1-39H
InChIKeyRWSKANMFWQFQDX-UHFFFAOYSA-N
XLogP35.33
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001870.30
LogP ≤ 535.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 10-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole with MolForge

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Related Compounds

10-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 161495487
10-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 90211296
3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
CID 160959222
10-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 118562678
12-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylphenyl)-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701847
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,12-diphenyl-[1]benzothiolo[2,3-a]carbazole
CID 163588004
12-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(3-phenylphenyl)-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701832
12-(4-phenylphenyl)-18-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701777
3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole
CID 87156299
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-10-(2-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-a]carbazole
CID 171591426
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,12-diphenylindolo[3,2-c]carbazole
CID 122501672
4-[4-[4-[8-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)carbazol-9-yl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole
CID 138622688

Frequently Asked Questions

What is the IUPAC name of 10-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 10-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole (CID 160750252) is 10-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 10-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 10-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c7sc7c8ccc8c9ccccc9n(-c9ccccc9)c87)ccc65)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5ccc(-n6c7ccccc7c7cc(-c8cccc9c8sc8c9ccc9c%10ccccc%10n(-c%10ccccc%10)c98)ccc76)cc5c4c3)n2)cc1.
What is the InChIKey of 10-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is RWSKANMFWQFQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H41N5S.C63H39N5S/c1-4-17-42(18-5-1)67-70-68(43-19-6-2-7-20-43)72-69(71-67)45-31-34-51-49-23-10-11-24-50(49)52-35-33-47(41-59(52)58(51)40-45)73-61-29-14-13-26-54(61)60-39-44(32-38-63(60)73)48-27-16-28-56-57-37-36-55-53-25-12-15-30-62(53)74(46-21-8-3-9-22-46)64(55)66(57)75-65(48)56;1-4-15-42(16-5-1)61-64-62(43-17-6-2-7-18-43)66-63(65-61)44-29-27-40(28-30-44)41-31-34-47(35-32-41)67-55-25-12-11-22-50(55)54-39-45(33-38-57(54)67)48-23-14-24-52-53-37-36-51-49-21-10-13-26-56(49)68(46-19-8-3-9-20-46)58(51)60(53)69-59(48)52/h1-41H;1-39H.
What are the key properties of 10-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole?
10-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 1870.30 g/mol, XLogP of 35.33, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 160750252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).