5-[3-[9-[3,5-bis(10-pyridin-2-ylphenazin-5-yl)phenyl]fluoren-9-yl]-5-(10-pyridin-2-ylphenazin-5-yl)phenyl]-10-pyridin-2-ylphenazine

C93H62N12 — CID 58142012

IUPAC5-[3-[9-[3,5-bis(10-pyridin-2-ylphenazin-5-yl)phenyl]fluoren-9-yl]-5-(10-pyridin-2-ylphenazin-5-yl)phenyl]-10-pyridin-2-ylphenazine
SMILESc1ccc(N2c3ccccc3N(c3cc(N4c5ccccc5N(c5ccccn5)c5ccccc54)cc(C4(c5cc(N6c7ccccc7N(c7ccccn7)c7ccccc76)cc(N6c7ccccc7N(c7ccccn7)c7ccccc76)c5)c5ccccc5-c5ccccc54)c3)c3ccccc32)nc1
InChIInChI=1S/C93H62N12/c1-3-31-71-69(29-1)70-30-2-4-32-72(70)93(71,63-57-65(98-73-33-5-13-41-81(73)102(89-49-21-25-53-94-89)82-42-14-6-34-74(82)98)61-66(58-63)99-75-35-7-15-43-83(75)103(90-50-22-26-54-95-90)84-44-16-8-36-76(84)99)64-59-67(100-77-37-9-17-45-85(77)104(91-51-23-27-55-96-91)86-46-18-10-38-78(86)100)62-68(60-64)101-79-39-11-19-47-87(79)105(92-52-24-28-56-97-92)88-48-20-12-40-80(88)101/h1-62H
InChIKeyMYUORXHOSMKWFW-UHFFFAOYSA-N
MW1347.60 g/mol
LogP24.64
Rot. Bonds10

About 5-[3-[9-[3,5-bis(10-pyridin-2-ylphenazin-5-yl)phenyl]fluoren-9-yl]-5-(10-pyridin-2-ylphenazin-5-yl)phenyl]-10-pyridin-2-ylphenazine

5-[3-[9-[3,5-bis(10-pyridin-2-ylphenazin-5-yl)phenyl]fluoren-9-yl]-5-(10-pyridin-2-ylphenazin-5-yl)phenyl]-10-pyridin-2-ylphenazine (PubChem CID 58142012) has the molecular formula C93H62N12 and a molecular weight of 1347.60 g/mol. Its IUPAC name is 5-[3-[9-[3,5-bis(10-pyridin-2-ylphenazin-5-yl)phenyl]fluoren-9-yl]-5-(10-pyridin-2-ylphenazin-5-yl)phenyl]-10-pyridin-2-ylphenazine.

Molecular Properties

Compound Name5-[3-[9-[3,5-bis(10-pyridin-2-ylphenazin-5-yl)phenyl]fluoren-9-yl]-5-(10-pyridin-2-ylphenazin-5-yl)phenyl]-10-pyridin-2-ylphenazine
PubChem CID58142012
Molecular FormulaC93H62N12
Molecular Weight1347.60 g/mol
Exact Mass1346.52
IUPAC Name5-[3-[9-[3,5-bis(10-pyridin-2-ylphenazin-5-yl)phenyl]fluoren-9-yl]-5-(10-pyridin-2-ylphenazin-5-yl)phenyl]-10-pyridin-2-ylphenazine
SMILESc1ccc(N2c3ccccc3N(c3cc(N4c5ccccc5N(c5ccccn5)c5ccccc54)cc(C4(c5cc(N6c7ccccc7N(c7ccccn7)c7ccccc76)cc(N6c7ccccc7N(c7ccccn7)c7ccccc76)c5)c5ccccc5-c5ccccc54)c3)c3ccccc32)nc1
InChIInChI=1S/C93H62N12/c1-3-31-71-69(29-1)70-30-2-4-32-72(70)93(71,63-57-65(98-73-33-5-13-41-81(73)102(89-49-21-25-53-94-89)82-42-14-6-34-74(82)98)61-66(58-63)99-75-35-7-15-43-83(75)103(90-50-22-26-54-95-90)84-44-16-8-36-76(84)99)64-59-67(100-77-37-9-17-45-85(77)104(91-51-23-27-55-96-91)86-46-18-10-38-78(86)100)62-68(60-64)101-79-39-11-19-47-87(79)105(92-52-24-28-56-97-92)88-48-20-12-40-80(88)101/h1-62H
InChIKeyMYUORXHOSMKWFW-UHFFFAOYSA-N
XLogP24.64
TPSA77.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001347.60
LogP ≤ 524.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-[3-[9-[3,5-bis(10-pyridin-2-ylphenazin-5-yl)phenyl]fluoren-9-yl]-5-(10-pyridin-2-ylphenazin-5-yl)phenyl]-10-pyridin-2-ylphenazine with MolForge

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Related Compounds

10-[3-[9-[3,5-bis(9,9-diethylacridin-10-yl)phenyl]fluoren-9-yl]-5-(9,9-diethylacridin-10-yl)phenyl]-9,9-diethylacridine
CID 58142092
10-[3-[9-[3,5-bis(9-methyl-9H-acridin-10-yl)phenyl]fluoren-9-yl]-5-(9-methyl-9H-acridin-10-yl)phenyl]-9-methyl-9H-acridine
CID 58142126
3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-10-pyridin-2-ylspiro[acridine-9,9'-fluorene]
CID 160756460
9,9-dimethyl-10-pyridin-2-ylacridin-3-ol
CID 118539200
14-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 130262419
2-[3-[9-(3-pyridin-2-ylphenyl)fluoren-9-yl]pyrrol-1-yl]pyridine
CID 140814770
11-pyridin-2-yl-5,6-dihydrobenzo[b][1]benzazepine
CID 132545002
10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-fluorene]
CID 138641297
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
10-phenyl-3,6-bis(pyrido[2,3-b]indol-9-yl)spiro[acridine-9,9'-fluorene]
CID 122367920
10-phenyl-3-pyridin-4-ylspiro[acridine-9,9'-fluorene]
CID 146495033
10-[4-(1-phenyl-4,5-dipyridin-2-ylimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
CID 154952867

Frequently Asked Questions

What is the IUPAC name of 5-[3-[9-[3,5-bis(10-pyridin-2-ylphenazin-5-yl)phenyl]fluoren-9-yl]-5-(10-pyridin-2-ylphenazin-5-yl)phenyl]-10-pyridin-2-ylphenazine?
The IUPAC name of 5-[3-[9-[3,5-bis(10-pyridin-2-ylphenazin-5-yl)phenyl]fluoren-9-yl]-5-(10-pyridin-2-ylphenazin-5-yl)phenyl]-10-pyridin-2-ylphenazine (CID 58142012) is 5-[3-[9-[3,5-bis(10-pyridin-2-ylphenazin-5-yl)phenyl]fluoren-9-yl]-5-(10-pyridin-2-ylphenazin-5-yl)phenyl]-10-pyridin-2-ylphenazine.
What is the SMILES notation for 5-[3-[9-[3,5-bis(10-pyridin-2-ylphenazin-5-yl)phenyl]fluoren-9-yl]-5-(10-pyridin-2-ylphenazin-5-yl)phenyl]-10-pyridin-2-ylphenazine?
The canonical SMILES for 5-[3-[9-[3,5-bis(10-pyridin-2-ylphenazin-5-yl)phenyl]fluoren-9-yl]-5-(10-pyridin-2-ylphenazin-5-yl)phenyl]-10-pyridin-2-ylphenazine is c1ccc(N2c3ccccc3N(c3cc(N4c5ccccc5N(c5ccccn5)c5ccccc54)cc(C4(c5cc(N6c7ccccc7N(c7ccccn7)c7ccccc76)cc(N6c7ccccc7N(c7ccccn7)c7ccccc76)c5)c5ccccc5-c5ccccc54)c3)c3ccccc32)nc1.
What is the InChIKey of 5-[3-[9-[3,5-bis(10-pyridin-2-ylphenazin-5-yl)phenyl]fluoren-9-yl]-5-(10-pyridin-2-ylphenazin-5-yl)phenyl]-10-pyridin-2-ylphenazine?
The InChIKey is MYUORXHOSMKWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H62N12/c1-3-31-71-69(29-1)70-30-2-4-32-72(70)93(71,63-57-65(98-73-33-5-13-41-81(73)102(89-49-21-25-53-94-89)82-42-14-6-34-74(82)98)61-66(58-63)99-75-35-7-15-43-83(75)103(90-50-22-26-54-95-90)84-44-16-8-36-76(84)99)64-59-67(100-77-37-9-17-45-85(77)104(91-51-23-27-55-96-91)86-46-18-10-38-78(86)100)62-68(60-64)101-79-39-11-19-47-87(79)105(92-52-24-28-56-97-92)88-48-20-12-40-80(88)101/h1-62H.
What are the key properties of 5-[3-[9-[3,5-bis(10-pyridin-2-ylphenazin-5-yl)phenyl]fluoren-9-yl]-5-(10-pyridin-2-ylphenazin-5-yl)phenyl]-10-pyridin-2-ylphenazine?
5-[3-[9-[3,5-bis(10-pyridin-2-ylphenazin-5-yl)phenyl]fluoren-9-yl]-5-(10-pyridin-2-ylphenazin-5-yl)phenyl]-10-pyridin-2-ylphenazine has a molecular weight of 1347.60 g/mol, XLogP of 24.64, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[9-[3,5-bis(10-pyridin-2-ylphenazin-5-yl)phenyl]fluoren-9-yl]-5-(10-pyridin-2-ylphenazin-5-yl)phenyl]-10-pyridin-2-ylphenazine is sourced from PubChem (CID 58142012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).