7-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole

C68H42F3N7 — CID 90183220

IUPAC7-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole
SMILESFC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccc(-c4ccc5c(c4)c4ccc6ccn(-c7ccccc7)c6c4n5-c4ccccc4)cc3c3ccc4c(ccn4-c4ccccc4)c32)c1
InChIInChI=1S/C68H42F3N7/c69-68(70,71)49-38-48(67-73-65(44-16-6-1-7-17-44)72-66(74-67)45-18-8-2-9-19-45)39-53(42-49)78-61-32-28-46(40-57(61)54-30-33-59-56(63(54)78)35-37-75(59)50-20-10-3-11-21-50)47-27-31-60-58(41-47)55-29-26-43-34-36-76(51-22-12-4-13-23-51)62(43)64(55)77(60)52-24-14-5-15-25-52/h1-42H
InChIKeyYURQAVNEOPHLNQ-UHFFFAOYSA-N
MW1014.13 g/mol
LogP17.64
Rot. Bonds8

About 7-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole

7-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole (PubChem CID 90183220) has the molecular formula C68H42F3N7 and a molecular weight of 1014.13 g/mol. Its IUPAC name is 7-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name7-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole
PubChem CID90183220
Molecular FormulaC68H42F3N7
Molecular Weight1014.13 g/mol
Exact Mass1013.35
IUPAC Name7-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole
SMILESFC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccc(-c4ccc5c(c4)c4ccc6ccn(-c7ccccc7)c6c4n5-c4ccccc4)cc3c3ccc4c(ccn4-c4ccccc4)c32)c1
InChIInChI=1S/C68H42F3N7/c69-68(70,71)49-38-48(67-73-65(44-16-6-1-7-17-44)72-66(74-67)45-18-8-2-9-19-45)39-53(42-49)78-61-32-28-46(40-57(61)54-30-33-59-56(63(54)78)35-37-75(59)50-20-10-3-11-21-50)47-27-31-60-58(41-47)55-29-26-43-34-36-76(51-22-12-4-13-23-51)62(43)64(55)77(60)52-24-14-5-15-25-52/h1-42H
InChIKeyYURQAVNEOPHLNQ-UHFFFAOYSA-N
XLogP17.64
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001014.13
LogP ≤ 517.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole?
The IUPAC name of 7-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole (CID 90183220) is 7-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole.
What is the SMILES notation for 7-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole?
The canonical SMILES for 7-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole is FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccc(-c4ccc5c(c4)c4ccc6ccn(-c7ccccc7)c6c4n5-c4ccccc4)cc3c3ccc4c(ccn4-c4ccccc4)c32)c1.
What is the InChIKey of 7-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole?
The InChIKey is YURQAVNEOPHLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42F3N7/c69-68(70,71)49-38-48(67-73-65(44-16-6-1-7-17-44)72-66(74-67)45-18-8-2-9-19-45)39-53(42-49)78-61-32-28-46(40-57(61)54-30-33-59-56(63(54)78)35-37-75(59)50-20-10-3-11-21-50)47-27-31-60-58(41-47)55-29-26-43-34-36-76(51-22-12-4-13-23-51)62(43)64(55)77(60)52-24-14-5-15-25-52/h1-42H.
What are the key properties of 7-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole?
7-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole has a molecular weight of 1014.13 g/mol, XLogP of 17.64, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,10-diphenylpyrrolo[2,3-a]carbazol-7-yl)-10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-3-phenylpyrrolo[3,2-a]carbazole is sourced from PubChem (CID 90183220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).