5-[3-[5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]carbazole;4,7-diphenyl-1,10-phenanthroline

C77H47N5O2 — CID 157163506

IUPAC5-[3-[5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]carbazole;4,7-diphenyl-1,10-phenanthroline
SMILESc1cc(-c2cncc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)c2)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C53H31N3O2.C24H16N2/c1-5-19-44-42(17-1)50-46(25-23-40-38-15-3-7-21-48(38)57-52(40)50)55(44)36-13-9-11-32(28-36)34-27-35(31-54-30-34)33-12-10-14-37(29-33)56-45-20-6-2-18-43(45)51-47(56)26-24-41-39-16-4-8-22-49(39)58-53(41)51;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-31H;1-16H
InChIKeyAMQLIBLBADVVGI-UHFFFAOYSA-N
MW1074.26 g/mol
LogP20.53
Rot. Bonds6

About 5-[3-[5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]carbazole;4,7-diphenyl-1,10-phenanthroline

5-[3-[5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]carbazole;4,7-diphenyl-1,10-phenanthroline (PubChem CID 157163506) has the molecular formula C77H47N5O2 and a molecular weight of 1074.26 g/mol. Its IUPAC name is 5-[3-[5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]carbazole;4,7-diphenyl-1,10-phenanthroline.

Molecular Properties

Compound Name5-[3-[5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]carbazole;4,7-diphenyl-1,10-phenanthroline
PubChem CID157163506
Molecular FormulaC77H47N5O2
Molecular Weight1074.26 g/mol
Exact Mass1073.37
IUPAC Name5-[3-[5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]carbazole;4,7-diphenyl-1,10-phenanthroline
SMILESc1cc(-c2cncc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)c2)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C53H31N3O2.C24H16N2/c1-5-19-44-42(17-1)50-46(25-23-40-38-15-3-7-21-48(38)57-52(40)50)55(44)36-13-9-11-32(28-36)34-27-35(31-54-30-34)33-12-10-14-37(29-33)56-45-20-6-2-18-43(45)51-47(56)26-24-41-39-16-4-8-22-49(39)58-53(41)51;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-31H;1-16H
InChIKeyAMQLIBLBADVVGI-UHFFFAOYSA-N
XLogP20.53
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001074.26
LogP ≤ 520.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[3-[5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]carbazole;4,7-diphenyl-1,10-phenanthroline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]carbazole;4,7-diphenyl-1,10-phenanthroline?
The IUPAC name of 5-[3-[5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]carbazole;4,7-diphenyl-1,10-phenanthroline (CID 157163506) is 5-[3-[5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]carbazole;4,7-diphenyl-1,10-phenanthroline.
What is the SMILES notation for 5-[3-[5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]carbazole;4,7-diphenyl-1,10-phenanthroline?
The canonical SMILES for 5-[3-[5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]carbazole;4,7-diphenyl-1,10-phenanthroline is c1cc(-c2cncc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)c2)cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of 5-[3-[5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]carbazole;4,7-diphenyl-1,10-phenanthroline?
The InChIKey is AMQLIBLBADVVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N3O2.C24H16N2/c1-5-19-44-42(17-1)50-46(25-23-40-38-15-3-7-21-48(38)57-52(40)50)55(44)36-13-9-11-32(28-36)34-27-35(31-54-30-34)33-12-10-14-37(29-33)56-45-20-6-2-18-43(45)51-47(56)26-24-41-39-16-4-8-22-49(39)58-53(41)51;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-31H;1-16H.
What are the key properties of 5-[3-[5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]carbazole;4,7-diphenyl-1,10-phenanthroline?
5-[3-[5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]carbazole;4,7-diphenyl-1,10-phenanthroline has a molecular weight of 1074.26 g/mol, XLogP of 20.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[5-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-c]carbazole;4,7-diphenyl-1,10-phenanthroline is sourced from PubChem (CID 157163506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).