7-phenyl-5-[3-phenyl-5-[4-phenyl-6-[3-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole

C81H51N7 — CID 118041197

IUPAC7-phenyl-5-[3-phenyl-5-[4-phenyl-6-[3-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole
SMILESc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)c4)n3)cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)c2)cc1
InChIInChI=1S/C81H51N7/c1-6-24-52(25-7-1)55-42-57(46-61(44-55)87-73-40-22-18-36-65(73)69-48-67-63-34-16-20-38-71(63)85(75(67)50-77(69)87)59-30-12-4-13-31-59)80-82-79(54-28-10-3-11-29-54)83-81(84-80)58-43-56(53-26-8-2-9-27-53)45-62(47-58)88-74-41-23-19-37-66(74)70-49-68-64-35-17-21-39-72(64)86(76(68)51-78(70)88)60-32-14-5-15-33-60/h1-51H
InChIKeyLVKFYQGIALUMMC-UHFFFAOYSA-N
MW1122.35 g/mol
LogP20.59
Rot. Bonds9

About 7-phenyl-5-[3-phenyl-5-[4-phenyl-6-[3-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole

7-phenyl-5-[3-phenyl-5-[4-phenyl-6-[3-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole (PubChem CID 118041197) has the molecular formula C81H51N7 and a molecular weight of 1122.35 g/mol. Its IUPAC name is 7-phenyl-5-[3-phenyl-5-[4-phenyl-6-[3-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-phenyl-5-[3-phenyl-5-[4-phenyl-6-[3-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole
PubChem CID118041197
Molecular FormulaC81H51N7
Molecular Weight1122.35 g/mol
Exact Mass1121.42
IUPAC Name7-phenyl-5-[3-phenyl-5-[4-phenyl-6-[3-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole
SMILESc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)c4)n3)cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)c2)cc1
InChIInChI=1S/C81H51N7/c1-6-24-52(25-7-1)55-42-57(46-61(44-55)87-73-40-22-18-36-65(73)69-48-67-63-34-16-20-38-71(63)85(75(67)50-77(69)87)59-30-12-4-13-31-59)80-82-79(54-28-10-3-11-29-54)83-81(84-80)58-43-56(53-26-8-2-9-27-53)45-62(47-58)88-74-41-23-19-37-66(74)70-49-68-64-35-17-21-39-72(64)86(76(68)51-78(70)88)60-32-14-5-15-33-60/h1-51H
InChIKeyLVKFYQGIALUMMC-UHFFFAOYSA-N
XLogP20.59
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms88
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001122.35
LogP ≤ 520.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-phenyl-5-[3-phenyl-5-[4-phenyl-6-[3-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-[3-phenyl-5-[4-phenyl-6-[3-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole?
The IUPAC name of 7-phenyl-5-[3-phenyl-5-[4-phenyl-6-[3-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole (CID 118041197) is 7-phenyl-5-[3-phenyl-5-[4-phenyl-6-[3-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole.
What is the SMILES notation for 7-phenyl-5-[3-phenyl-5-[4-phenyl-6-[3-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole?
The canonical SMILES for 7-phenyl-5-[3-phenyl-5-[4-phenyl-6-[3-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole is c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)c4)n3)cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)c2)cc1.
What is the InChIKey of 7-phenyl-5-[3-phenyl-5-[4-phenyl-6-[3-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole?
The InChIKey is LVKFYQGIALUMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H51N7/c1-6-24-52(25-7-1)55-42-57(46-61(44-55)87-73-40-22-18-36-65(73)69-48-67-63-34-16-20-38-71(63)85(75(67)50-77(69)87)59-30-12-4-13-31-59)80-82-79(54-28-10-3-11-29-54)83-81(84-80)58-43-56(53-26-8-2-9-27-53)45-62(47-58)88-74-41-23-19-37-66(74)70-49-68-64-35-17-21-39-72(64)86(76(68)51-78(70)88)60-32-14-5-15-33-60/h1-51H.
What are the key properties of 7-phenyl-5-[3-phenyl-5-[4-phenyl-6-[3-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole?
7-phenyl-5-[3-phenyl-5-[4-phenyl-6-[3-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole has a molecular weight of 1122.35 g/mol, XLogP of 20.59, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5-[3-phenyl-5-[4-phenyl-6-[3-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole is sourced from PubChem (CID 118041197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).