2-[7-[4-(3,4-dihydropyridin-4-yl)phenyl]-9,9-diphenylfluoren-2-yl]-3-[9,9-diphenyl-7-(4-pyridin-4-ylphenyl)fluoren-2-yl]quinoxaline

C80H54N4 — CID 89177766

IUPAC2-[7-[4-(3,4-dihydropyridin-4-yl)phenyl]-9,9-diphenylfluoren-2-yl]-3-[9,9-diphenyl-7-(4-pyridin-4-ylphenyl)fluoren-2-yl]quinoxaline
SMILESC1=CC(c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5nc6ccccc6nc5-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5cc(-c7ccc(-c8ccncc8)cc7)ccc5-6)ccc3-4)cc2)CC=N1
InChIInChI=1S/C80H54N4/c1-5-15-63(16-6-1)79(64-17-7-2-8-18-64)71-49-59(55-29-25-53(26-30-55)57-41-45-81-46-42-57)33-37-67(71)69-39-35-61(51-73(69)79)77-78(84-76-24-14-13-23-75(76)83-77)62-36-40-70-68-38-34-60(56-31-27-54(28-32-56)58-43-47-82-48-44-58)50-72(68)80(74(70)52-62,65-19-9-3-10-20-65)66-21-11-4-12-22-66/h1-43,45-52,58H,44H2
InChIKeyQBKINSLSISANGX-UHFFFAOYSA-N
MW1071.34 g/mol
LogP19.16
Rot. Bonds10

About 2-[7-[4-(3,4-dihydropyridin-4-yl)phenyl]-9,9-diphenylfluoren-2-yl]-3-[9,9-diphenyl-7-(4-pyridin-4-ylphenyl)fluoren-2-yl]quinoxaline

2-[7-[4-(3,4-dihydropyridin-4-yl)phenyl]-9,9-diphenylfluoren-2-yl]-3-[9,9-diphenyl-7-(4-pyridin-4-ylphenyl)fluoren-2-yl]quinoxaline (PubChem CID 89177766) has the molecular formula C80H54N4 and a molecular weight of 1071.34 g/mol. Its IUPAC name is 2-[7-[4-(3,4-dihydropyridin-4-yl)phenyl]-9,9-diphenylfluoren-2-yl]-3-[9,9-diphenyl-7-(4-pyridin-4-ylphenyl)fluoren-2-yl]quinoxaline.

Molecular Properties

Compound Name2-[7-[4-(3,4-dihydropyridin-4-yl)phenyl]-9,9-diphenylfluoren-2-yl]-3-[9,9-diphenyl-7-(4-pyridin-4-ylphenyl)fluoren-2-yl]quinoxaline
PubChem CID89177766
Molecular FormulaC80H54N4
Molecular Weight1071.34 g/mol
Exact Mass1070.43
IUPAC Name2-[7-[4-(3,4-dihydropyridin-4-yl)phenyl]-9,9-diphenylfluoren-2-yl]-3-[9,9-diphenyl-7-(4-pyridin-4-ylphenyl)fluoren-2-yl]quinoxaline
SMILESC1=CC(c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5nc6ccccc6nc5-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5cc(-c7ccc(-c8ccncc8)cc7)ccc5-6)ccc3-4)cc2)CC=N1
InChIInChI=1S/C80H54N4/c1-5-15-63(16-6-1)79(64-17-7-2-8-18-64)71-49-59(55-29-25-53(26-30-55)57-41-45-81-46-42-57)33-37-67(71)69-39-35-61(51-73(69)79)77-78(84-76-24-14-13-23-75(76)83-77)62-36-40-70-68-38-34-60(56-31-27-54(28-32-56)58-43-47-82-48-44-58)50-72(68)80(74(70)52-62,65-19-9-3-10-20-65)66-21-11-4-12-22-66/h1-43,45-52,58H,44H2
InChIKeyQBKINSLSISANGX-UHFFFAOYSA-N
XLogP19.16
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001071.34
LogP ≤ 519.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[7-[4-(3,4-dihydropyridin-4-yl)phenyl]-9,9-diphenylfluoren-2-yl]-3-[9,9-diphenyl-7-(4-pyridin-4-ylphenyl)fluoren-2-yl]quinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[4-(3,4-dihydropyridin-4-yl)phenyl]-9,9-diphenylfluoren-2-yl]-3-[9,9-diphenyl-7-(4-pyridin-4-ylphenyl)fluoren-2-yl]quinoxaline?
The IUPAC name of 2-[7-[4-(3,4-dihydropyridin-4-yl)phenyl]-9,9-diphenylfluoren-2-yl]-3-[9,9-diphenyl-7-(4-pyridin-4-ylphenyl)fluoren-2-yl]quinoxaline (CID 89177766) is 2-[7-[4-(3,4-dihydropyridin-4-yl)phenyl]-9,9-diphenylfluoren-2-yl]-3-[9,9-diphenyl-7-(4-pyridin-4-ylphenyl)fluoren-2-yl]quinoxaline.
What is the SMILES notation for 2-[7-[4-(3,4-dihydropyridin-4-yl)phenyl]-9,9-diphenylfluoren-2-yl]-3-[9,9-diphenyl-7-(4-pyridin-4-ylphenyl)fluoren-2-yl]quinoxaline?
The canonical SMILES for 2-[7-[4-(3,4-dihydropyridin-4-yl)phenyl]-9,9-diphenylfluoren-2-yl]-3-[9,9-diphenyl-7-(4-pyridin-4-ylphenyl)fluoren-2-yl]quinoxaline is C1=CC(c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5nc6ccccc6nc5-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5cc(-c7ccc(-c8ccncc8)cc7)ccc5-6)ccc3-4)cc2)CC=N1.
What is the InChIKey of 2-[7-[4-(3,4-dihydropyridin-4-yl)phenyl]-9,9-diphenylfluoren-2-yl]-3-[9,9-diphenyl-7-(4-pyridin-4-ylphenyl)fluoren-2-yl]quinoxaline?
The InChIKey is QBKINSLSISANGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H54N4/c1-5-15-63(16-6-1)79(64-17-7-2-8-18-64)71-49-59(55-29-25-53(26-30-55)57-41-45-81-46-42-57)33-37-67(71)69-39-35-61(51-73(69)79)77-78(84-76-24-14-13-23-75(76)83-77)62-36-40-70-68-38-34-60(56-31-27-54(28-32-56)58-43-47-82-48-44-58)50-72(68)80(74(70)52-62,65-19-9-3-10-20-65)66-21-11-4-12-22-66/h1-43,45-52,58H,44H2.
What are the key properties of 2-[7-[4-(3,4-dihydropyridin-4-yl)phenyl]-9,9-diphenylfluoren-2-yl]-3-[9,9-diphenyl-7-(4-pyridin-4-ylphenyl)fluoren-2-yl]quinoxaline?
2-[7-[4-(3,4-dihydropyridin-4-yl)phenyl]-9,9-diphenylfluoren-2-yl]-3-[9,9-diphenyl-7-(4-pyridin-4-ylphenyl)fluoren-2-yl]quinoxaline has a molecular weight of 1071.34 g/mol, XLogP of 19.16, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[4-(3,4-dihydropyridin-4-yl)phenyl]-9,9-diphenylfluoren-2-yl]-3-[9,9-diphenyl-7-(4-pyridin-4-ylphenyl)fluoren-2-yl]quinoxaline is sourced from PubChem (CID 89177766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).