5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole

C96H60N10 — CID 149424415

IUPAC5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5ccc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)ccc3-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C96H60N10/c1-7-28-61(29-8-1)91-97-92(62-30-9-2-10-31-62)100-95(99-91)77-59-67(50-54-83(77)105-81-48-25-21-44-75(81)87-85(105)56-52-73-71-42-19-23-46-79(71)103(89(73)87)69-38-15-5-16-39-69)65-36-27-37-66(58-65)68-51-55-84(78(60-68)96-101-93(63-32-11-3-12-33-63)98-94(102-96)64-34-13-4-14-35-64)106-82-49-26-22-45-76(82)88-86(106)57-53-74-72-43-20-24-47-80(72)104(90(74)88)70-40-17-6-18-41-70/h1-60H
InChIKeyYTUVEZKWYGTOSN-UHFFFAOYSA-N
MW1353.61 g/mol
LogP23.78
Rot. Bonds12

About 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole

5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 149424415) has the molecular formula C96H60N10 and a molecular weight of 1353.61 g/mol. Its IUPAC name is 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID149424415
Molecular FormulaC96H60N10
Molecular Weight1353.61 g/mol
Exact Mass1352.50
IUPAC Name5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5ccc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)ccc3-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C96H60N10/c1-7-28-61(29-8-1)91-97-92(62-30-9-2-10-31-62)100-95(99-91)77-59-67(50-54-83(77)105-81-48-25-21-44-75(81)87-85(105)56-52-73-71-42-19-23-46-79(71)103(89(73)87)69-38-15-5-16-39-69)65-36-27-37-66(58-65)68-51-55-84(78(60-68)96-101-93(63-32-11-3-12-33-63)98-94(102-96)64-34-13-4-14-35-64)106-82-49-26-22-45-76(82)88-86(106)57-53-74-72-43-20-24-47-80(72)104(90(74)88)70-40-17-6-18-41-70/h1-60H
InChIKeyYTUVEZKWYGTOSN-UHFFFAOYSA-N
XLogP23.78
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms106
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001353.61
LogP ≤ 523.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (CID 149424415) is 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5ccc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)ccc3-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is YTUVEZKWYGTOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H60N10/c1-7-28-61(29-8-1)91-97-92(62-30-9-2-10-31-62)100-95(99-91)77-59-67(50-54-83(77)105-81-48-25-21-44-75(81)87-85(105)56-52-73-71-42-19-23-46-79(71)103(89(73)87)69-38-15-5-16-39-69)65-36-27-37-66(58-65)68-51-55-84(78(60-68)96-101-93(63-32-11-3-12-33-63)98-94(102-96)64-34-13-4-14-35-64)106-82-49-26-22-45-76(82)88-86(106)57-53-74-72-43-20-24-47-80(72)104(90(74)88)70-40-17-6-18-41-70/h1-60H.
What are the key properties of 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 1353.61 g/mol, XLogP of 23.78, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 149424415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).