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

C97H59N9S — CID 129152641

IUPAC3-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)carbazol-3-yl]-9-[4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8nccc(-c9cccc%10c9sc9ccccc9%10)n8)ccc76)cc5)c4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)c2)cc1
InChIInChI=1S/C97H59N9S/c1-3-20-60(21-4-1)62-22-17-24-68(54-62)94-100-95(102-97(101-94)106-87-38-15-10-31-75(87)82-59-67(45-51-91(82)106)64-42-48-88-79(56-64)72-28-7-12-35-84(72)103(88)70-26-5-2-6-27-70)69-25-18-23-63(55-69)61-40-46-71(47-41-61)104-85-36-13-8-29-73(85)80-57-65(43-49-89(80)104)66-44-50-90-81(58-66)74-30-9-14-37-86(74)105(90)96-98-53-52-83(99-96)78-34-19-33-77-76-32-11-16-39-92(76)107-93(77)78/h1-59H
InChIKeyFLBRFDHJYWPMNS-UHFFFAOYSA-N
MW1382.67 g/mol
LogP25.09
Rot. Bonds11

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

3-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)carbazol-3-yl]-9-[4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (PubChem CID 129152641) has the molecular formula C97H59N9S and a molecular weight of 1382.67 g/mol. Its IUPAC name is 3-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)carbazol-3-yl]-9-[4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)carbazol-3-yl]-9-[4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
PubChem CID129152641
Molecular FormulaC97H59N9S
Molecular Weight1382.67 g/mol
Exact Mass1381.46
IUPAC Name3-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)carbazol-3-yl]-9-[4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8nccc(-c9cccc%10c9sc9ccccc9%10)n8)ccc76)cc5)c4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)c2)cc1
InChIInChI=1S/C97H59N9S/c1-3-20-60(21-4-1)62-22-17-24-68(54-62)94-100-95(102-97(101-94)106-87-38-15-10-31-75(87)82-59-67(45-51-91(82)106)64-42-48-88-79(56-64)72-28-7-12-35-84(72)103(88)70-26-5-2-6-27-70)69-25-18-23-63(55-69)61-40-46-71(47-41-61)104-85-36-13-8-29-73(85)80-57-65(43-49-89(80)104)66-44-50-90-81(58-66)74-30-9-14-37-86(74)105(90)96-98-53-52-83(99-96)78-34-19-33-77-76-32-11-16-39-92(76)107-93(77)78/h1-59H
InChIKeyFLBRFDHJYWPMNS-UHFFFAOYSA-N
XLogP25.09
TPSA84.17 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001382.67
LogP ≤ 525.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)carbazol-3-yl]-9-[4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The IUPAC name of 3-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)carbazol-3-yl]-9-[4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (CID 129152641) is 3-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)carbazol-3-yl]-9-[4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 3-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)carbazol-3-yl]-9-[4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 3-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)carbazol-3-yl]-9-[4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8nccc(-c9cccc%10c9sc9ccccc9%10)n8)ccc76)cc5)c4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)c2)cc1.
What is the InChIKey of 3-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)carbazol-3-yl]-9-[4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
The InChIKey is FLBRFDHJYWPMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H59N9S/c1-3-20-60(21-4-1)62-22-17-24-68(54-62)94-100-95(102-97(101-94)106-87-38-15-10-31-75(87)82-59-67(45-51-91(82)106)64-42-48-88-79(56-64)72-28-7-12-35-84(72)103(88)70-26-5-2-6-27-70)69-25-18-23-63(55-69)61-40-46-71(47-41-61)104-85-36-13-8-29-73(85)80-57-65(43-49-89(80)104)66-44-50-90-81(58-66)74-30-9-14-37-86(74)105(90)96-98-53-52-83(99-96)78-34-19-33-77-76-32-11-16-39-92(76)107-93(77)78/h1-59H.
What are the key properties of 3-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)carbazol-3-yl]-9-[4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole?
3-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)carbazol-3-yl]-9-[4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole has a molecular weight of 1382.67 g/mol, XLogP of 25.09, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)carbazol-3-yl]-9-[4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 129152641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).