2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole

C69H45N5 — CID 164799957

IUPAC2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccc(-c7cccc(-c8ccccc8)c7)cc6c6ccc7c(c8cc(-c9ccccc9)ccc8n7-c7ccccc7)c65)n4)cc3)c2)cc1
InChIInChI=1S/C69H45N5/c1-6-18-46(19-7-1)52-26-16-28-54(42-52)49-32-34-51(35-33-49)68-70-67(50-24-12-4-13-25-50)71-69(72-68)74-62-39-37-57(55-29-17-27-53(43-55)47-20-8-2-9-21-47)44-60(62)59-38-41-64-65(66(59)74)61-45-56(48-22-10-3-11-23-48)36-40-63(61)73(64)58-30-14-5-15-31-58/h1-45H
InChIKeyVBFRMCQNNXUTTM-UHFFFAOYSA-N
MW944.15 g/mol
LogP17.73
Rot. Bonds9

About 2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole

2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (PubChem CID 164799957) has the molecular formula C69H45N5 and a molecular weight of 944.15 g/mol. Its IUPAC name is 2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
PubChem CID164799957
Molecular FormulaC69H45N5
Molecular Weight944.15 g/mol
Exact Mass943.37
IUPAC Name2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccc(-c7cccc(-c8ccccc8)c7)cc6c6ccc7c(c8cc(-c9ccccc9)ccc8n7-c7ccccc7)c65)n4)cc3)c2)cc1
InChIInChI=1S/C69H45N5/c1-6-18-46(19-7-1)52-26-16-28-54(42-52)49-32-34-51(35-33-49)68-70-67(50-24-12-4-13-25-50)71-69(72-68)74-62-39-37-57(55-29-17-27-53(43-55)47-20-8-2-9-21-47)44-60(62)59-38-41-64-65(66(59)74)61-45-56(48-22-10-3-11-23-48)36-40-63(61)73(64)58-30-14-5-15-31-58/h1-45H
InChIKeyVBFRMCQNNXUTTM-UHFFFAOYSA-N
XLogP17.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.15
LogP ≤ 517.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-9-(4-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,5,9-triphenyl-12-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 165033294
10,20-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,15,24-triphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
CID 118473598
3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164799955
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 170268481
5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 129141708
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 161319412
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 169037225
2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 142315031
12-phenyl-5-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 164799948
2,9-ditert-butyl-5-phenyl-12-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-ditert-butyl-5-phenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 160739402
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,9-diphenylindolo[3,2-c]carbazole
CID 126628139
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-dimethyl-5-phenylindolo[3,2-c]carbazole
CID 142315008

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
The IUPAC name of 2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (CID 164799957) is 2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.
What is the SMILES notation for 2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
The canonical SMILES for 2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole is c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccc(-c7cccc(-c8ccccc8)c7)cc6c6ccc7c(c8cc(-c9ccccc9)ccc8n7-c7ccccc7)c65)n4)cc3)c2)cc1.
What is the InChIKey of 2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
The InChIKey is VBFRMCQNNXUTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N5/c1-6-18-46(19-7-1)52-26-16-28-54(42-52)49-32-34-51(35-33-49)68-70-67(50-24-12-4-13-25-50)71-69(72-68)74-62-39-37-57(55-29-17-27-53(43-55)47-20-8-2-9-21-47)44-60(62)59-38-41-64-65(66(59)74)61-45-56(48-22-10-3-11-23-48)36-40-63(61)73(64)58-30-14-5-15-31-58/h1-45H.
What are the key properties of 2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole has a molecular weight of 944.15 g/mol, XLogP of 17.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 164799957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).