3-phenyl-6-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)-5-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-c]carbazole

C49H31N7 — CID 90091085

IUPAC3-phenyl-6-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)-5-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-c]carbazole
SMILESc1ccc(-n2ccc3c4c5ccccc5n(-c5cc(-c6ncncn6)cc(-n6c7ccccc7c7c8ccn(-c9ccccc9)c8ccc76)c5)c4ccc32)cc1
InChIInChI=1S/C49H31N7/c1-3-11-33(12-4-1)53-25-23-39-41(53)19-21-45-47(39)37-15-7-9-17-43(37)55(45)35-27-32(49-51-30-50-31-52-49)28-36(29-35)56-44-18-10-8-16-38(44)48-40-24-26-54(34-13-5-2-6-14-34)42(40)20-22-46(48)56/h1-31H
InChIKeyYYSLSVJODQHBAR-UHFFFAOYSA-N
MW717.84 g/mol
LogP11.62
Rot. Bonds5

About 3-phenyl-6-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)-5-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-c]carbazole

3-phenyl-6-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)-5-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-c]carbazole (PubChem CID 90091085) has the molecular formula C49H31N7 and a molecular weight of 717.84 g/mol. Its IUPAC name is 3-phenyl-6-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)-5-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-c]carbazole.

Molecular Properties

Compound Name3-phenyl-6-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)-5-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-c]carbazole
PubChem CID90091085
Molecular FormulaC49H31N7
Molecular Weight717.84 g/mol
Exact Mass717.26
IUPAC Name3-phenyl-6-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)-5-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-c]carbazole
SMILESc1ccc(-n2ccc3c4c5ccccc5n(-c5cc(-c6ncncn6)cc(-n6c7ccccc7c7c8ccn(-c9ccccc9)c8ccc76)c5)c4ccc32)cc1
InChIInChI=1S/C49H31N7/c1-3-11-33(12-4-1)53-25-23-39-41(53)19-21-45-47(39)37-15-7-9-17-43(37)55(45)35-27-32(49-51-30-50-31-52-49)28-36(29-35)56-44-18-10-8-16-38(44)48-40-24-26-54(34-13-5-2-6-14-34)42(40)20-22-46(48)56/h1-31H
InChIKeyYYSLSVJODQHBAR-UHFFFAOYSA-N
XLogP11.62
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.84
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)-N,N-bis[4-(1,3,5-triazin-2-yl)phenyl]aniline
CID 90060850
6-phenyl-3-(2-phenylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole
CID 123906057
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 90130563
6-[3-(3,6-diphenylcarbazol-9-yl)-5-phenylphenyl]-3-phenylpyrrolo[2,3-c]carbazole;6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 160506334
3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole
CID 118315256
17-phenyl-9-[4-(5-phenylpyrimidin-2-yl)phenyl]-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene
CID 90223464
9-[3-(1,3,5-triazin-2-yl)phenyl]carbazole
CID 166831150
3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole
CID 118315311
6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole
CID 118315266
N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline
CID 118315279
17-phenyl-9-(2-phenylpyrimidin-4-yl)-9,17-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaene
CID 90223450
3-(4-isoquinolin-4-ylphenyl)-6-phenylpyrrolo[2,3-c]carbazole
CID 123386659

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)-5-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-c]carbazole?
The IUPAC name of 3-phenyl-6-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)-5-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-c]carbazole (CID 90091085) is 3-phenyl-6-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)-5-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-c]carbazole.
What is the SMILES notation for 3-phenyl-6-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)-5-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-c]carbazole?
The canonical SMILES for 3-phenyl-6-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)-5-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-c]carbazole is c1ccc(-n2ccc3c4c5ccccc5n(-c5cc(-c6ncncn6)cc(-n6c7ccccc7c7c8ccn(-c9ccccc9)c8ccc76)c5)c4ccc32)cc1.
What is the InChIKey of 3-phenyl-6-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)-5-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-c]carbazole?
The InChIKey is YYSLSVJODQHBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N7/c1-3-11-33(12-4-1)53-25-23-39-41(53)19-21-45-47(39)37-15-7-9-17-43(37)55(45)35-27-32(49-51-30-50-31-52-49)28-36(29-35)56-44-18-10-8-16-38(44)48-40-24-26-54(34-13-5-2-6-14-34)42(40)20-22-46(48)56/h1-31H.
What are the key properties of 3-phenyl-6-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)-5-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-c]carbazole?
3-phenyl-6-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)-5-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-c]carbazole has a molecular weight of 717.84 g/mol, XLogP of 11.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)-5-(1,3,5-triazin-2-yl)phenyl]pyrrolo[2,3-c]carbazole is sourced from PubChem (CID 90091085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).