3-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-1-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(3-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine

C210H139N7O4 — CID 163949527

IUPAC3-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-1-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(3-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c4oc4ccccc45)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4cccc(-c5ccccc5)c4)c4ccc5oc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C74H49N3O.C68H44N2O2.C68H46N2O/c1-4-19-50(20-5-1)52-35-39-57(40-36-52)75(58-41-37-53(38-42-58)51-21-6-2-7-22-51)60-45-55(68-47-54-23-10-11-26-62(54)63-27-12-13-28-64(63)68)46-61(48-60)76(59-43-44-73-69(49-59)66-30-15-17-34-72(66)78-73)71-33-18-31-67-65-29-14-16-32-70(65)77(74(67)71)56-24-8-3-9-25-56;1-3-16-45(17-4-1)47-30-34-51(35-31-47)69(52-36-32-48(33-37-52)46-18-5-2-6-19-46)54-40-50(62-42-49-20-7-8-21-56(49)57-22-9-10-23-58(57)62)41-55(43-54)70(53-38-39-67-63(44-53)60-25-12-13-28-65(60)71-67)64-27-15-26-61-59-24-11-14-29-66(59)72-68(61)64;1-4-17-47(18-5-1)50-31-35-55(36-32-50)69(56-37-33-51(34-38-56)48-19-6-2-7-20-48)59-42-54(65-44-53-23-10-11-26-61(53)62-27-12-13-28-63(62)65)43-60(45-59)70(57-25-16-24-52(41-57)49-21-8-3-9-22-49)58-39-40-68-66(46-58)64-29-14-15-30-67(64)71-68/h1-49H;1-44H;1-46H
InChIKeyRYCLSAIFHVSRPK-UHFFFAOYSA-N
MW2824.47 g/mol
LogP60.16
Rot. Bonds29

About 3-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-1-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(3-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine

3-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-1-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(3-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 163949527) has the molecular formula C210H139N7O4 and a molecular weight of 2824.47 g/mol. Its IUPAC name is 3-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-1-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(3-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-1-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(3-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
PubChem CID163949527
Molecular FormulaC210H139N7O4
Molecular Weight2824.47 g/mol
Exact Mass2822.09
IUPAC Name3-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-1-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(3-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c4oc4ccccc45)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4cccc(-c5ccccc5)c4)c4ccc5oc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C74H49N3O.C68H44N2O2.C68H46N2O/c1-4-19-50(20-5-1)52-35-39-57(40-36-52)75(58-41-37-53(38-42-58)51-21-6-2-7-22-51)60-45-55(68-47-54-23-10-11-26-62(54)63-27-12-13-28-64(63)68)46-61(48-60)76(59-43-44-73-69(49-59)66-30-15-17-34-72(66)78-73)71-33-18-31-67-65-29-14-16-32-70(65)77(74(67)71)56-24-8-3-9-25-56;1-3-16-45(17-4-1)47-30-34-51(35-31-47)69(52-36-32-48(33-37-52)46-18-5-2-6-19-46)54-40-50(62-42-49-20-7-8-21-56(49)57-22-9-10-23-58(57)62)41-55(43-54)70(53-38-39-67-63(44-53)60-25-12-13-28-65(60)71-67)64-27-15-26-61-59-24-11-14-29-66(59)72-68(61)64;1-4-17-47(18-5-1)50-31-35-55(36-32-50)69(56-37-33-51(34-38-56)48-19-6-2-7-20-48)59-42-54(65-44-53-23-10-11-26-61(53)62-27-12-13-28-63(62)65)43-60(45-59)70(57-25-16-24-52(41-57)49-21-8-3-9-22-49)58-39-40-68-66(46-58)64-29-14-15-30-67(64)71-68/h1-49H;1-44H;1-46H
InChIKeyRYCLSAIFHVSRPK-UHFFFAOYSA-N
XLogP60.16
TPSA76.93 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds29
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002824.47
LogP ≤ 560.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 3-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-1-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(3-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine with MolForge

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Related Compounds

bis(3-carbazol-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline);N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 165016258
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 162770482
N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-2-amine;N-phenanthren-9-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine
CID 165064934
N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170034219
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 165063563
3-N-(4-dibenzofuran-4-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 146664196
N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168809217
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170033639
N-[4-[4-(N-dibenzofuran-2-ylanilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;2-N-dibenzofuran-2-yl-9,9-dimethyl-2-N,7-N-diphenyl-7-N-(9-phenylcarbazol-3-yl)fluorene-2,7-diamine;N-[4-[4-[4-[dibenzofuran-3-yl(phenanthren-9-yl)amino]phenyl]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-3-amine;N-[4-[4-[4-[dibenzofuran-4-yl(phenanthren-9-yl)amino]phenyl]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-4-amine
CID 158078970
N-[4-[4-[dibenzofuran-2-yl(phenanthren-9-yl)amino]phenyl]phenyl]-N-phenanthren-9-yldibenzofuran-2-amine;1-N,3-N-di(dibenzofuran-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-di(dibenzofuran-3-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-di(dibenzofuran-4-yl)-1-N,4-N-diphenylbenzene-1,4-diamine;N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 157328042
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164790797
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 165081556

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-1-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(3-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 3-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-1-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(3-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine (CID 163949527) is 3-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-1-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(3-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-1-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(3-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-1-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(3-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c4oc4ccccc45)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc5ccccc5c5ccccc45)cc(N(c4cccc(-c5ccccc5)c4)c4ccc5oc6ccccc6c5c4)c3)cc2)cc1.
What is the InChIKey of 3-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-1-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(3-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is RYCLSAIFHVSRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H49N3O.C68H44N2O2.C68H46N2O/c1-4-19-50(20-5-1)52-35-39-57(40-36-52)75(58-41-37-53(38-42-58)51-21-6-2-7-22-51)60-45-55(68-47-54-23-10-11-26-62(54)63-27-12-13-28-64(63)68)46-61(48-60)76(59-43-44-73-69(49-59)66-30-15-17-34-72(66)78-73)71-33-18-31-67-65-29-14-16-32-70(65)77(74(67)71)56-24-8-3-9-25-56;1-3-16-45(17-4-1)47-30-34-51(35-31-47)69(52-36-32-48(33-37-52)46-18-5-2-6-19-46)54-40-50(62-42-49-20-7-8-21-56(49)57-22-9-10-23-58(57)62)41-55(43-54)70(53-38-39-67-63(44-53)60-25-12-13-28-65(60)71-67)64-27-15-26-61-59-24-11-14-29-66(59)72-68(61)64;1-4-17-47(18-5-1)50-31-35-55(36-32-50)69(56-37-33-51(34-38-56)48-19-6-2-7-20-48)59-42-54(65-44-53-23-10-11-26-61(53)62-27-12-13-28-63(62)65)43-60(45-59)70(57-25-16-24-52(41-57)49-21-8-3-9-22-49)58-39-40-68-66(46-58)64-29-14-15-30-67(64)71-68/h1-49H;1-44H;1-46H.
What are the key properties of 3-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-1-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(3-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine?
3-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-1-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(3-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 2824.47 g/mol, XLogP of 60.16, 29 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-5-phenanthren-9-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-1-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-5-phenanthren-9-yl-3-N-(3-phenylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 163949527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).