N-naphthalen-1-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-2-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-3-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

C209H127N3 — CID 161355877

IUPACN-naphthalen-1-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-2-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-3-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3cc4ccccc4c4ccccc34)c(N(c3ccc4c(ccc5ccccc54)c3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3cc4ccccc4c4ccccc34)c(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4ccccc34)cc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3cc4ccccc4c4ccccc34)c(N(c3ccc4ccc5ccccc5c4c3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21
InChIInChI=1S/2C71H43N.C67H41N/c1-3-19-49-44(17-1)33-34-46-39-47(35-37-51(46)49)72(48-36-38-58-55-24-7-6-22-53(55)54-23-8-10-26-57(54)63(58)41-48)70-43-69-64(42-65(70)62-40-45-18-2-4-20-50(45)52-21-5-9-25-56(52)62)61-29-13-16-32-68(61)71(69)66-30-14-11-27-59(66)60-28-12-15-31-67(60)71;1-3-19-49-44(17-1)33-34-45-35-36-47(40-61(45)49)72(48-37-38-57-54-24-7-6-22-52(54)53-23-8-10-26-56(53)63(57)41-48)70-43-69-64(42-65(70)62-39-46-18-2-4-20-50(46)51-21-5-9-25-55(51)62)60-29-13-16-32-68(60)71(69)66-30-14-11-27-58(66)59-28-12-15-31-67(59)71;1-4-22-46-42(18-1)20-17-35-65(46)68(44-36-37-53-50-26-7-6-24-48(50)49-25-8-10-28-52(49)58(53)39-44)66-41-64-59(40-60(66)57-38-43-19-2-3-21-45(43)47-23-5-9-27-51(47)57)56-31-13-16-34-63(56)67(64)61-32-14-11-29-54(61)55-30-12-15-33-62(55)67/h2*1-43H;1-41H
InChIKeyVONMXHNVTSVPOO-UHFFFAOYSA-N
MW2680.34 g/mol
LogP56.56
Rot. Bonds12

About N-naphthalen-1-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-2-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-3-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

N-naphthalen-1-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-2-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-3-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 161355877) has the molecular formula C209H127N3 and a molecular weight of 2680.34 g/mol. Its IUPAC name is N-naphthalen-1-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-2-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-3-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-2-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-3-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
PubChem CID161355877
Molecular FormulaC209H127N3
Molecular Weight2680.34 g/mol
Exact Mass2678.00
IUPAC NameN-naphthalen-1-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-2-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-3-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3cc4ccccc4c4ccccc34)c(N(c3ccc4c(ccc5ccccc54)c3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3cc4ccccc4c4ccccc34)c(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4ccccc34)cc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3cc4ccccc4c4ccccc34)c(N(c3ccc4ccc5ccccc5c4c3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21
InChIInChI=1S/2C71H43N.C67H41N/c1-3-19-49-44(17-1)33-34-46-39-47(35-37-51(46)49)72(48-36-38-58-55-24-7-6-22-53(55)54-23-8-10-26-57(54)63(58)41-48)70-43-69-64(42-65(70)62-40-45-18-2-4-20-50(45)52-21-5-9-25-56(52)62)61-29-13-16-32-68(61)71(69)66-30-14-11-27-59(66)60-28-12-15-31-67(60)71;1-3-19-49-44(17-1)33-34-45-35-36-47(40-61(45)49)72(48-37-38-57-54-24-7-6-22-52(54)53-23-8-10-26-56(53)63(57)41-48)70-43-69-64(42-65(70)62-39-46-18-2-4-20-50(46)51-21-5-9-25-55(51)62)60-29-13-16-32-68(60)71(69)66-30-14-11-27-58(66)59-28-12-15-31-67(59)71;1-4-22-46-42(18-1)20-17-35-65(46)68(44-36-37-53-50-26-7-6-24-48(50)49-25-8-10-28-52(49)58(53)39-44)66-41-64-59(40-60(66)57-38-43-19-2-3-21-45(43)47-23-5-9-27-51(47)57)56-31-13-16-34-63(56)67(64)61-32-14-11-29-54(61)55-30-12-15-33-62(55)67/h2*1-43H;1-41H
InChIKeyVONMXHNVTSVPOO-UHFFFAOYSA-N
XLogP56.56
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms212
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002680.34
LogP ≤ 556.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-naphthalen-1-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-2-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-3-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine with MolForge

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Related Compounds

N-naphthalen-1-yl-3'-(4-phenanthren-3-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729121
N-phenanthren-2-yl-N,3'-di(triphenylen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 138728982
methane;N-naphthalen-1-yl-3'-(4-phenanthren-9-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(4-phenanthren-2-ylphenyl)-N-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 158924092
N-(9,9-dimethylfluoren-3-yl)-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729282
3'-phenanthren-3-yl-N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729232
3'-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729933
3'-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729866
N-(9,9-dimethylfluoren-4-yl)-3'-phenanthren-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729359
3'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729326
3'-dibenzofuran-2-yl-N-naphthalen-1-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729491
N-phenanthren-2-yl-3'-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-3-yl-3'-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-9-yl-3'-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 159615477
N-(4-naphthalen-1-ylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-2-ylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(4-phenylphenyl)-N,N-di(triphenylen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 161164298

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-2-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-3-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-naphthalen-1-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-2-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-3-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (CID 161355877) is N-naphthalen-1-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-2-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-3-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-naphthalen-1-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-2-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-3-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-naphthalen-1-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-2-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-3-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3cc4ccccc4c4ccccc34)c(N(c3ccc4c(ccc5ccccc54)c3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3cc4ccccc4c4ccccc34)c(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4ccccc34)cc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3cc4ccccc4c4ccccc34)c(N(c3ccc4ccc5ccccc5c4c3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.
What is the InChIKey of N-naphthalen-1-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-2-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-3-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is VONMXHNVTSVPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C71H43N.C67H41N/c1-3-19-49-44(17-1)33-34-46-39-47(35-37-51(46)49)72(48-36-38-58-55-24-7-6-22-53(55)54-23-8-10-26-57(54)63(58)41-48)70-43-69-64(42-65(70)62-40-45-18-2-4-20-50(45)52-21-5-9-25-56(52)62)61-29-13-16-32-68(61)71(69)66-30-14-11-27-59(66)60-28-12-15-31-67(60)71;1-3-19-49-44(17-1)33-34-45-35-36-47(40-61(45)49)72(48-37-38-57-54-24-7-6-22-52(54)53-23-8-10-26-56(53)63(57)41-48)70-43-69-64(42-65(70)62-39-46-18-2-4-20-50(46)51-21-5-9-25-55(51)62)60-29-13-16-32-68(60)71(69)66-30-14-11-27-58(66)59-28-12-15-31-67(59)71;1-4-22-46-42(18-1)20-17-35-65(46)68(44-36-37-53-50-26-7-6-24-48(50)49-25-8-10-28-52(49)58(53)39-44)66-41-64-59(40-60(66)57-38-43-19-2-3-21-45(43)47-23-5-9-27-51(47)57)56-31-13-16-34-63(56)67(64)61-32-14-11-29-54(61)55-30-12-15-33-62(55)67/h2*1-43H;1-41H.
What are the key properties of N-naphthalen-1-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-2-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-3-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
N-naphthalen-1-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-2-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-3-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 2680.34 g/mol, XLogP of 56.56, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-2-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-3-yl-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 161355877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).