N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine

C221H142N4O2S — CID 163907356

IUPACN,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine
SMILESc1cc(-c2cc3ccccc3c3ccccc23)cc(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cccc3c2oc2ccccc23)c1.c1cc(-c2cc3ccccc3c3ccccc23)cc(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cccc3c2sc2ccccc23)c1.c1cc(-c2cc3ccccc3c3ccccc23)cc(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cccc3oc4ccccc4c23)c1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc(-c5cc6ccccc6c6ccccc56)c4)c4cccc(-c5cc6ccccc6c6ccccc56)c4)cc32)cc1
InChIInChI=1S/C65H43N.2C52H33NO.C52H33NS/c1-3-23-48(24-4-1)65(49-25-5-2-6-26-49)63-36-16-15-35-59(63)60-38-37-52(43-64(60)65)66(50-27-17-21-44(39-50)61-41-46-19-7-9-29-53(46)55-31-11-13-33-57(55)61)51-28-18-22-45(40-51)62-42-47-20-8-10-30-54(47)56-32-12-14-34-58(56)62;1-3-20-40-36(14-1)32-48(44-24-7-5-22-42(40)44)34-16-11-18-38(30-34)53(50-28-13-27-47-46-26-9-10-29-51(46)54-52(47)50)39-19-12-17-35(31-39)49-33-37-15-2-4-21-41(37)43-23-6-8-25-45(43)49;1-3-20-40-36(14-1)32-47(44-24-7-5-22-42(40)44)34-16-11-18-38(30-34)53(49-27-13-29-51-52(49)46-26-9-10-28-50(46)54-51)39-19-12-17-35(31-39)48-33-37-15-2-4-21-41(37)43-23-6-8-25-45(43)48;1-3-20-40-36(14-1)32-48(44-24-7-5-22-42(40)44)34-16-11-18-38(30-34)53(50-28-13-27-47-46-26-9-10-29-51(46)54-52(47)50)39-19-12-17-35(31-39)49-33-37-15-2-4-21-41(37)43-23-6-8-25-45(43)49/h1-43H;3*1-33H
InChIKeyQPCVINASIZPHNU-UHFFFAOYSA-N
MW2917.66 g/mol
LogP62.94
Rot. Bonds22

About N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine

N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine (PubChem CID 163907356) has the molecular formula C221H142N4O2S and a molecular weight of 2917.66 g/mol. Its IUPAC name is N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine
PubChem CID163907356
Molecular FormulaC221H142N4O2S
Molecular Weight2917.66 g/mol
Exact Mass2915.09
IUPAC NameN,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine
SMILESc1cc(-c2cc3ccccc3c3ccccc23)cc(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cccc3c2oc2ccccc23)c1.c1cc(-c2cc3ccccc3c3ccccc23)cc(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cccc3c2sc2ccccc23)c1.c1cc(-c2cc3ccccc3c3ccccc23)cc(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cccc3oc4ccccc4c23)c1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc(-c5cc6ccccc6c6ccccc56)c4)c4cccc(-c5cc6ccccc6c6ccccc56)c4)cc32)cc1
InChIInChI=1S/C65H43N.2C52H33NO.C52H33NS/c1-3-23-48(24-4-1)65(49-25-5-2-6-26-49)63-36-16-15-35-59(63)60-38-37-52(43-64(60)65)66(50-27-17-21-44(39-50)61-41-46-19-7-9-29-53(46)55-31-11-13-33-57(55)61)51-28-18-22-45(40-51)62-42-47-20-8-10-30-54(47)56-32-12-14-34-58(56)62;1-3-20-40-36(14-1)32-48(44-24-7-5-22-42(40)44)34-16-11-18-38(30-34)53(50-28-13-27-47-46-26-9-10-29-51(46)54-52(47)50)39-19-12-17-35(31-39)49-33-37-15-2-4-21-41(37)43-23-6-8-25-45(43)49;1-3-20-40-36(14-1)32-47(44-24-7-5-22-42(40)44)34-16-11-18-38(30-34)53(49-27-13-29-51-52(49)46-26-9-10-28-50(46)54-51)39-19-12-17-35(31-39)48-33-37-15-2-4-21-41(37)43-23-6-8-25-45(43)48;1-3-20-40-36(14-1)32-48(44-24-7-5-22-42(40)44)34-16-11-18-38(30-34)53(50-28-13-27-47-46-26-9-10-29-51(46)54-52(47)50)39-19-12-17-35(31-39)49-33-37-15-2-4-21-41(37)43-23-6-8-25-45(43)49/h1-43H;3*1-33H
InChIKeyQPCVINASIZPHNU-UHFFFAOYSA-N
XLogP62.94
TPSA39.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms228
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002917.66
LogP ≤ 562.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine with MolForge

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-4-amine
CID 162115385
N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(2-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 159645825
N-dibenzofuran-3-yl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-4-amine
CID 159394304
N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine
CID 169022269
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
CID 158701835
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 118298078
N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 158832712
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(2-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(2-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159801227
N-(2,4-diphenylphenyl)-7'-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-4-amine;N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-3-amine
CID 158728746
N-(3-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine
CID 118405991
N-[3-[5'-[3-(N-dibenzofuran-4-ylanilino)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yl]phenyl]-N-phenyldibenzofuran-4-amine;N-[3-[5'-[3-(N-dibenzothiophen-4-ylanilino)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-[5'-[4-(N-dibenzothiophen-4-ylanilino)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 158767830
N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine;N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine;N,N-bis(4-phenanthren-9-ylphenyl)-4-(6-phenyldibenzofuran-4-yl)aniline;N-(4-carbazol-9-ylphenyl)-4-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-1-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzofuran-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline;4-dibenzothiophen-4-yl-N,N-bis(4-phenanthren-9-ylphenyl)aniline
CID 163535100

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine?
The IUPAC name of N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine (CID 163907356) is N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine is c1cc(-c2cc3ccccc3c3ccccc23)cc(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cccc3c2oc2ccccc23)c1.c1cc(-c2cc3ccccc3c3ccccc23)cc(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cccc3c2sc2ccccc23)c1.c1cc(-c2cc3ccccc3c3ccccc23)cc(N(c2cccc(-c3cc4ccccc4c4ccccc34)c2)c2cccc3oc4ccccc4c23)c1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4cccc(-c5cc6ccccc6c6ccccc56)c4)c4cccc(-c5cc6ccccc6c6ccccc56)c4)cc32)cc1.
What is the InChIKey of N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine?
The InChIKey is QPCVINASIZPHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N.2C52H33NO.C52H33NS/c1-3-23-48(24-4-1)65(49-25-5-2-6-26-49)63-36-16-15-35-59(63)60-38-37-52(43-64(60)65)66(50-27-17-21-44(39-50)61-41-46-19-7-9-29-53(46)55-31-11-13-33-57(55)61)51-28-18-22-45(40-51)62-42-47-20-8-10-30-54(47)56-32-12-14-34-58(56)62;1-3-20-40-36(14-1)32-48(44-24-7-5-22-42(40)44)34-16-11-18-38(30-34)53(50-28-13-27-47-46-26-9-10-29-51(46)54-52(47)50)39-19-12-17-35(31-39)49-33-37-15-2-4-21-41(37)43-23-6-8-25-45(43)49;1-3-20-40-36(14-1)32-47(44-24-7-5-22-42(40)44)34-16-11-18-38(30-34)53(49-27-13-29-51-52(49)46-26-9-10-28-50(46)54-51)39-19-12-17-35(31-39)48-33-37-15-2-4-21-41(37)43-23-6-8-25-45(43)48;1-3-20-40-36(14-1)32-48(44-24-7-5-22-42(40)44)34-16-11-18-38(30-34)53(50-28-13-27-47-46-26-9-10-29-51(46)54-52(47)50)39-19-12-17-35(31-39)49-33-37-15-2-4-21-41(37)43-23-6-8-25-45(43)49/h1-43H;3*1-33H.
What are the key properties of N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine?
N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine has a molecular weight of 2917.66 g/mol, XLogP of 62.94, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-1-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzofuran-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)dibenzothiophen-4-amine;N,N-bis(3-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 163907356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).