9-[1-carbazol-9-yl-4-[4-[1,3-di(carbazol-9-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole

C81H47N7S2 — CID 153300149

IUPAC9-[1-carbazol-9-yl-4-[4-[1,3-di(carbazol-9-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
SMILESc1ccc(-c2nc(-c3c(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c4c3sc3ccccc34)nc(-c3c(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C81H47N7S2/c1-2-24-48(25-3-1)79-82-80(75-69(87-63-40-18-8-30-53(63)54-31-9-19-41-64(54)87)46-67(73-57-34-12-22-44-71(57)89-77(73)75)85-59-36-14-4-26-49(59)50-27-5-15-37-60(50)85)84-81(83-79)76-70(88-65-42-20-10-32-55(65)56-33-11-21-43-66(56)88)47-68(74-58-35-13-23-45-72(58)90-78(74)76)86-61-38-16-6-28-51(61)52-29-7-17-39-62(52)86/h1-47H
InChIKeyBVSMLYWPIUBEGM-UHFFFAOYSA-N
MW1182.45 g/mol
LogP22.00
Rot. Bonds7

About 9-[1-carbazol-9-yl-4-[4-[1,3-di(carbazol-9-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole

9-[1-carbazol-9-yl-4-[4-[1,3-di(carbazol-9-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole (PubChem CID 153300149) has the molecular formula C81H47N7S2 and a molecular weight of 1182.45 g/mol. Its IUPAC name is 9-[1-carbazol-9-yl-4-[4-[1,3-di(carbazol-9-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole.

Molecular Properties

Compound Name9-[1-carbazol-9-yl-4-[4-[1,3-di(carbazol-9-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
PubChem CID153300149
Molecular FormulaC81H47N7S2
Molecular Weight1182.45 g/mol
Exact Mass1181.33
IUPAC Name9-[1-carbazol-9-yl-4-[4-[1,3-di(carbazol-9-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
SMILESc1ccc(-c2nc(-c3c(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c4c3sc3ccccc34)nc(-c3c(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C81H47N7S2/c1-2-24-48(25-3-1)79-82-80(75-69(87-63-40-18-8-30-53(63)54-31-9-19-41-64(54)87)46-67(73-57-34-12-22-44-71(57)89-77(73)75)85-59-36-14-4-26-49(59)50-27-5-15-37-60(50)85)84-81(83-79)76-70(88-65-42-20-10-32-55(65)56-33-11-21-43-66(56)88)47-68(74-58-35-13-23-45-72(58)90-78(74)76)86-61-38-16-6-28-51(61)52-29-7-17-39-62(52)86/h1-47H
InChIKeyBVSMLYWPIUBEGM-UHFFFAOYSA-N
XLogP22.00
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001182.45
LogP ≤ 522.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-[1-carbazol-9-yl-4-[4-[1,3-di(carbazol-9-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole with MolForge

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Related Compounds

9-[4-[4-(3-carbazol-9-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
CID 153300131
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole
CID 118530397
9-[3-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142508176
CID 174101042
CID 174101042
9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole;9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzothiophen-1-yl]carbazole;9-[4-[4-(3-carbazol-9-yl-1-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-1-fluorodibenzothiophen-3-yl]carbazole
CID 158627039
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole
CID 169011465
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,21-dithia-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 118635110
2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 167378774
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-1-yl]carbazole
CID 169010600
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2,11-diphenylindolo[3,2-b]carbazole
CID 155160087
3-carbazol-9-yl-2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylbenzonitrile
CID 172500121
6-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 171730146

Frequently Asked Questions

What is the IUPAC name of 9-[1-carbazol-9-yl-4-[4-[1,3-di(carbazol-9-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole?
The IUPAC name of 9-[1-carbazol-9-yl-4-[4-[1,3-di(carbazol-9-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole (CID 153300149) is 9-[1-carbazol-9-yl-4-[4-[1,3-di(carbazol-9-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole.
What is the SMILES notation for 9-[1-carbazol-9-yl-4-[4-[1,3-di(carbazol-9-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole?
The canonical SMILES for 9-[1-carbazol-9-yl-4-[4-[1,3-di(carbazol-9-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole is c1ccc(-c2nc(-c3c(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c4c3sc3ccccc34)nc(-c3c(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 9-[1-carbazol-9-yl-4-[4-[1,3-di(carbazol-9-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole?
The InChIKey is BVSMLYWPIUBEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H47N7S2/c1-2-24-48(25-3-1)79-82-80(75-69(87-63-40-18-8-30-53(63)54-31-9-19-41-64(54)87)46-67(73-57-34-12-22-44-71(57)89-77(73)75)85-59-36-14-4-26-49(59)50-27-5-15-37-60(50)85)84-81(83-79)76-70(88-65-42-20-10-32-55(65)56-33-11-21-43-66(56)88)47-68(74-58-35-13-23-45-72(58)90-78(74)76)86-61-38-16-6-28-51(61)52-29-7-17-39-62(52)86/h1-47H.
What are the key properties of 9-[1-carbazol-9-yl-4-[4-[1,3-di(carbazol-9-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole?
9-[1-carbazol-9-yl-4-[4-[1,3-di(carbazol-9-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole has a molecular weight of 1182.45 g/mol, XLogP of 22.00, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-carbazol-9-yl-4-[4-[1,3-di(carbazol-9-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole is sourced from PubChem (CID 153300149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).