2,3-diphenyl-6-[4-[(4S,6S)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazabicyclo[3.1.0]hex-2-en-2-yl]phenyl]furo[3,2-c]carbazole

C51H34N6O — CID 118228195

IUPAC2,3-diphenyl-6-[4-[(4S,6S)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazabicyclo[3.1.0]hex-2-en-2-yl]phenyl]furo[3,2-c]carbazole
SMILESc1ccc(-c2oc3c(ccc4c3c3ccccc3n4-c3ccc(C4=N[C@H](c5ccncc5)N5[C@H](c6ccc(-c7ccncc7)cc6)N45)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C51H34N6O/c1-3-9-35(10-4-1)45-42-23-24-44-46(48(42)58-47(45)36-11-5-2-6-12-36)41-13-7-8-14-43(41)55(44)40-21-19-37(20-22-40)49-54-50(38-27-31-53-32-28-38)57-51(56(49)57)39-17-15-33(16-18-39)34-25-29-52-30-26-34/h1-32,50-51H/t50-,51+,56?,57?/m0/s1
InChIKeyOEDAKOPWEQNOEQ-XFDNXVFTSA-N
MW746.87 g/mol
LogP12.01
Rot. Bonds7

About 2,3-diphenyl-6-[4-[(4S,6S)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazabicyclo[3.1.0]hex-2-en-2-yl]phenyl]furo[3,2-c]carbazole

2,3-diphenyl-6-[4-[(4S,6S)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazabicyclo[3.1.0]hex-2-en-2-yl]phenyl]furo[3,2-c]carbazole (PubChem CID 118228195) has the molecular formula C51H34N6O and a molecular weight of 746.87 g/mol. Its IUPAC name is 2,3-diphenyl-6-[4-[(4S,6S)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazabicyclo[3.1.0]hex-2-en-2-yl]phenyl]furo[3,2-c]carbazole.

Molecular Properties

Compound Name2,3-diphenyl-6-[4-[(4S,6S)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazabicyclo[3.1.0]hex-2-en-2-yl]phenyl]furo[3,2-c]carbazole
PubChem CID118228195
Molecular FormulaC51H34N6O
Molecular Weight746.87 g/mol
Exact Mass746.28
IUPAC Name2,3-diphenyl-6-[4-[(4S,6S)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazabicyclo[3.1.0]hex-2-en-2-yl]phenyl]furo[3,2-c]carbazole
SMILESc1ccc(-c2oc3c(ccc4c3c3ccccc3n4-c3ccc(C4=N[C@H](c5ccncc5)N5[C@H](c6ccc(-c7ccncc7)cc6)N45)cc3)c2-c2ccccc2)cc1
InChIInChI=1S/C51H34N6O/c1-3-9-35(10-4-1)45-42-23-24-44-46(48(42)58-47(45)36-11-5-2-6-12-36)41-13-7-8-14-43(41)55(44)40-21-19-37(20-22-40)49-54-50(38-27-31-53-32-28-38)57-51(56(49)57)39-17-15-33(16-18-39)34-25-29-52-30-26-34/h1-32,50-51H/t50-,51+,56?,57?/m0/s1
InChIKeyOEDAKOPWEQNOEQ-XFDNXVFTSA-N
XLogP12.01
TPSA62.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.87
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2,3-diphenyl-6-[4-[(4S,6S)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazabicyclo[3.1.0]hex-2-en-2-yl]phenyl]furo[3,2-c]carbazole with MolForge

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Related Compounds

6-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 118228142
6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole;6-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole;6-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 162158013
2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229659
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-pyridin-4-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 121400472
6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 118228116
6-[4-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazabicyclo[3.1.0]hex-2-en-2-yl]phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118228514
2,3-diphenyl-6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole
CID 118229660
6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 118228574
2,3-diphenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]furo[3,2-c]carbazole
CID 140680258
6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
CID 159825657
6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229485
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-6-[4-[(4S,6S)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazabicyclo[3.1.0]hex-2-en-2-yl]phenyl]furo[3,2-c]carbazole?
The IUPAC name of 2,3-diphenyl-6-[4-[(4S,6S)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazabicyclo[3.1.0]hex-2-en-2-yl]phenyl]furo[3,2-c]carbazole (CID 118228195) is 2,3-diphenyl-6-[4-[(4S,6S)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazabicyclo[3.1.0]hex-2-en-2-yl]phenyl]furo[3,2-c]carbazole.
What is the SMILES notation for 2,3-diphenyl-6-[4-[(4S,6S)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazabicyclo[3.1.0]hex-2-en-2-yl]phenyl]furo[3,2-c]carbazole?
The canonical SMILES for 2,3-diphenyl-6-[4-[(4S,6S)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazabicyclo[3.1.0]hex-2-en-2-yl]phenyl]furo[3,2-c]carbazole is c1ccc(-c2oc3c(ccc4c3c3ccccc3n4-c3ccc(C4=N[C@H](c5ccncc5)N5[C@H](c6ccc(-c7ccncc7)cc6)N45)cc3)c2-c2ccccc2)cc1.
What is the InChIKey of 2,3-diphenyl-6-[4-[(4S,6S)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazabicyclo[3.1.0]hex-2-en-2-yl]phenyl]furo[3,2-c]carbazole?
The InChIKey is OEDAKOPWEQNOEQ-XFDNXVFTSA-N. The full InChI is InChI=1S/C51H34N6O/c1-3-9-35(10-4-1)45-42-23-24-44-46(48(42)58-47(45)36-11-5-2-6-12-36)41-13-7-8-14-43(41)55(44)40-21-19-37(20-22-40)49-54-50(38-27-31-53-32-28-38)57-51(56(49)57)39-17-15-33(16-18-39)34-25-29-52-30-26-34/h1-32,50-51H/t50-,51+,56?,57?/m0/s1.
What are the key properties of 2,3-diphenyl-6-[4-[(4S,6S)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazabicyclo[3.1.0]hex-2-en-2-yl]phenyl]furo[3,2-c]carbazole?
2,3-diphenyl-6-[4-[(4S,6S)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazabicyclo[3.1.0]hex-2-en-2-yl]phenyl]furo[3,2-c]carbazole has a molecular weight of 746.87 g/mol, XLogP of 12.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-6-[4-[(4S,6S)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazabicyclo[3.1.0]hex-2-en-2-yl]phenyl]furo[3,2-c]carbazole is sourced from PubChem (CID 118228195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).