5-[3-[3-dibenzofuran-3-yl-5-(N-phenylanilino)phenyl]carbazol-9-yl]naphthalene-1-carbonitrile;bis(N-[3-dibenzofuran-3-yl-5-[9-(4-pyridin-3-ylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-2-amine)

C167H107N9O3 — CID 158940738

IUPAC5-[3-[3-dibenzofuran-3-yl-5-(N-phenylanilino)phenyl]carbazol-9-yl]naphthalene-1-carbonitrile;bis(N-[3-dibenzofuran-3-yl-5-[9-(4-pyridin-3-ylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-2-amine)
SMILESN#Cc1cccc2c(-n3c4ccccc4c4cc(-c5cc(-c6ccc7c(c6)oc6ccccc67)cc(N(c6ccccc6)c6ccccc6)c5)ccc43)cccc12.c1ccc(N(c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccnc4)cc3)c2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccnc4)cc3)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/2C57H37N3O.C53H33N3O/c2*1-2-14-46(15-3-1)59(48-27-22-38-11-4-5-12-40(38)32-48)49-33-44(31-45(34-49)42-23-28-52-51-17-7-9-19-56(51)61-57(52)36-42)41-24-29-55-53(35-41)50-16-6-8-18-54(50)60(55)47-25-20-39(21-26-47)43-13-10-30-58-37-43;54-34-37-13-11-21-44-43(37)20-12-23-50(44)56-49-22-9-7-18-45(49)48-32-35(26-28-51(48)56)38-29-39(36-25-27-47-46-19-8-10-24-52(46)57-53(47)33-36)31-42(30-38)55(40-14-3-1-4-15-40)41-16-5-2-6-17-41/h2*1-37H;1-33H
InChIKeyJKFDPAXSEQDWPS-UHFFFAOYSA-N
MW2287.75 g/mol
LogP45.92
Rot. Bonds20

About 5-[3-[3-dibenzofuran-3-yl-5-(N-phenylanilino)phenyl]carbazol-9-yl]naphthalene-1-carbonitrile;bis(N-[3-dibenzofuran-3-yl-5-[9-(4-pyridin-3-ylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-2-amine)

5-[3-[3-dibenzofuran-3-yl-5-(N-phenylanilino)phenyl]carbazol-9-yl]naphthalene-1-carbonitrile;bis(N-[3-dibenzofuran-3-yl-5-[9-(4-pyridin-3-ylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-2-amine) (PubChem CID 158940738) has the molecular formula C167H107N9O3 and a molecular weight of 2287.75 g/mol. Its IUPAC name is 5-[3-[3-dibenzofuran-3-yl-5-(N-phenylanilino)phenyl]carbazol-9-yl]naphthalene-1-carbonitrile;bis(N-[3-dibenzofuran-3-yl-5-[9-(4-pyridin-3-ylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-2-amine).

Molecular Properties

Compound Name5-[3-[3-dibenzofuran-3-yl-5-(N-phenylanilino)phenyl]carbazol-9-yl]naphthalene-1-carbonitrile;bis(N-[3-dibenzofuran-3-yl-5-[9-(4-pyridin-3-ylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-2-amine)
PubChem CID158940738
Molecular FormulaC167H107N9O3
Molecular Weight2287.75 g/mol
Exact Mass2285.85
IUPAC Name5-[3-[3-dibenzofuran-3-yl-5-(N-phenylanilino)phenyl]carbazol-9-yl]naphthalene-1-carbonitrile;bis(N-[3-dibenzofuran-3-yl-5-[9-(4-pyridin-3-ylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-2-amine)
SMILESN#Cc1cccc2c(-n3c4ccccc4c4cc(-c5cc(-c6ccc7c(c6)oc6ccccc67)cc(N(c6ccccc6)c6ccccc6)c5)ccc43)cccc12.c1ccc(N(c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccnc4)cc3)c2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccnc4)cc3)c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/2C57H37N3O.C53H33N3O/c2*1-2-14-46(15-3-1)59(48-27-22-38-11-4-5-12-40(38)32-48)49-33-44(31-45(34-49)42-23-28-52-51-17-7-9-19-56(51)61-57(52)36-42)41-24-29-55-53(35-41)50-16-6-8-18-54(50)60(55)47-25-20-39(21-26-47)43-13-10-30-58-37-43;54-34-37-13-11-21-44-43(37)20-12-23-50(44)56-49-22-9-7-18-45(49)48-32-35(26-28-51(48)56)38-29-39(36-25-27-47-46-19-8-10-24-52(46)57-53(47)33-36)31-42(30-38)55(40-14-3-1-4-15-40)41-16-5-2-6-17-41/h2*1-37H;1-33H
InChIKeyJKFDPAXSEQDWPS-UHFFFAOYSA-N
XLogP45.92
TPSA113.50 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002287.75
LogP ≤ 545.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-[3-[3-dibenzofuran-3-yl-5-(N-phenylanilino)phenyl]carbazol-9-yl]naphthalene-1-carbonitrile;bis(N-[3-dibenzofuran-3-yl-5-[9-(4-pyridin-3-ylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-2-amine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-dibenzofuran-3-yl-5-(N-phenylanilino)phenyl]carbazol-9-yl]naphthalene-1-carbonitrile;bis(N-[3-dibenzofuran-3-yl-5-[9-(4-pyridin-3-ylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-2-amine)?
The IUPAC name of 5-[3-[3-dibenzofuran-3-yl-5-(N-phenylanilino)phenyl]carbazol-9-yl]naphthalene-1-carbonitrile;bis(N-[3-dibenzofuran-3-yl-5-[9-(4-pyridin-3-ylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-2-amine) (CID 158940738) is 5-[3-[3-dibenzofuran-3-yl-5-(N-phenylanilino)phenyl]carbazol-9-yl]naphthalene-1-carbonitrile;bis(N-[3-dibenzofuran-3-yl-5-[9-(4-pyridin-3-ylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-2-amine).
What is the SMILES notation for 5-[3-[3-dibenzofuran-3-yl-5-(N-phenylanilino)phenyl]carbazol-9-yl]naphthalene-1-carbonitrile;bis(N-[3-dibenzofuran-3-yl-5-[9-(4-pyridin-3-ylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-2-amine)?
The canonical SMILES for 5-[3-[3-dibenzofuran-3-yl-5-(N-phenylanilino)phenyl]carbazol-9-yl]naphthalene-1-carbonitrile;bis(N-[3-dibenzofuran-3-yl-5-[9-(4-pyridin-3-ylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-2-amine) is N#Cc1cccc2c(-n3c4ccccc4c4cc(-c5cc(-c6ccc7c(c6)oc6ccccc67)cc(N(c6ccccc6)c6ccccc6)c5)ccc43)cccc12.c1ccc(N(c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccnc4)cc3)c2)c2ccc3ccccc3c2)cc1.c1ccc(N(c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccnc4)cc3)c2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 5-[3-[3-dibenzofuran-3-yl-5-(N-phenylanilino)phenyl]carbazol-9-yl]naphthalene-1-carbonitrile;bis(N-[3-dibenzofuran-3-yl-5-[9-(4-pyridin-3-ylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-2-amine)?
The InChIKey is JKFDPAXSEQDWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H37N3O.C53H33N3O/c2*1-2-14-46(15-3-1)59(48-27-22-38-11-4-5-12-40(38)32-48)49-33-44(31-45(34-49)42-23-28-52-51-17-7-9-19-56(51)61-57(52)36-42)41-24-29-55-53(35-41)50-16-6-8-18-54(50)60(55)47-25-20-39(21-26-47)43-13-10-30-58-37-43;54-34-37-13-11-21-44-43(37)20-12-23-50(44)56-49-22-9-7-18-45(49)48-32-35(26-28-51(48)56)38-29-39(36-25-27-47-46-19-8-10-24-52(46)57-53(47)33-36)31-42(30-38)55(40-14-3-1-4-15-40)41-16-5-2-6-17-41/h2*1-37H;1-33H.
What are the key properties of 5-[3-[3-dibenzofuran-3-yl-5-(N-phenylanilino)phenyl]carbazol-9-yl]naphthalene-1-carbonitrile;bis(N-[3-dibenzofuran-3-yl-5-[9-(4-pyridin-3-ylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-2-amine)?
5-[3-[3-dibenzofuran-3-yl-5-(N-phenylanilino)phenyl]carbazol-9-yl]naphthalene-1-carbonitrile;bis(N-[3-dibenzofuran-3-yl-5-[9-(4-pyridin-3-ylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-2-amine) has a molecular weight of 2287.75 g/mol, XLogP of 45.92, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-dibenzofuran-3-yl-5-(N-phenylanilino)phenyl]carbazol-9-yl]naphthalene-1-carbonitrile;bis(N-[3-dibenzofuran-3-yl-5-[9-(4-pyridin-3-ylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-2-amine) is sourced from PubChem (CID 158940738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).