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

C218H139N3 — CID 158924092

IUPACmethane;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
SMILESC.c1ccc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3ccc(-c5ccc6c(ccc7ccccc76)c5)cc3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2cc3c(cc2-c2ccc(-c4ccc5c(ccc6ccccc65)c4)cc2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4ccccc34)cc21
InChIInChI=1S/C75H47N.C73H45N.C69H43N.CH4/c1-2-16-48(17-3-1)49-36-39-55(40-37-49)76(56-41-43-63-61-22-7-6-20-59(61)60-21-8-9-23-62(60)68(63)45-56)74-47-73-69(66-26-12-15-29-72(66)75(73)70-27-13-10-24-64(70)65-25-11-14-28-71(65)75)46-67(74)52-32-30-50(31-33-52)53-38-42-58-54(44-53)35-34-51-18-4-5-19-57(51)58;1-4-22-52-46(18-1)20-17-35-71(52)74(50-40-41-59-56-26-7-6-24-54(56)55-25-8-10-28-58(55)65(59)43-50)72-45-70-66(62-31-13-16-34-69(62)73(70)67-32-14-11-29-60(67)61-30-12-15-33-68(61)73)44-64(72)48-38-36-47(37-39-48)63-42-49-19-2-3-21-51(49)53-23-5-9-27-57(53)63;1-2-17-49(18-3-1)70(50-37-39-57-55-22-7-6-20-53(55)54-21-8-9-23-56(54)62(57)41-50)68-43-67-63(60-26-12-15-29-66(60)69(67)64-27-13-10-24-58(64)59-25-11-14-28-65(59)69)42-61(68)46-32-30-44(31-33-46)47-36-38-52-48(40-47)35-34-45-16-4-5-19-51(45)52;/h1-47H;1-45H;1-43H;1H4
InChIKeyJIFAVUBLXPDQBQ-UHFFFAOYSA-N
MW2800.53 g/mol
LogP59.26
Rot. Bonds16

About 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

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 (PubChem CID 158924092) has the molecular formula C218H139N3 and a molecular weight of 2800.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethane;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
PubChem CID158924092
Molecular FormulaC218H139N3
Molecular Weight2800.53 g/mol
Exact Mass2798.10
IUPAC Namemethane;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
SMILESC.c1ccc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3ccc(-c5ccc6c(ccc7ccccc76)c5)cc3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2cc3c(cc2-c2ccc(-c4ccc5c(ccc6ccccc65)c4)cc2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4ccccc34)cc21
InChIInChI=1S/C75H47N.C73H45N.C69H43N.CH4/c1-2-16-48(17-3-1)49-36-39-55(40-37-49)76(56-41-43-63-61-22-7-6-20-59(61)60-21-8-9-23-62(60)68(63)45-56)74-47-73-69(66-26-12-15-29-72(66)75(73)70-27-13-10-24-64(70)65-25-11-14-28-71(65)75)46-67(74)52-32-30-50(31-33-52)53-38-42-58-54(44-53)35-34-51-18-4-5-19-57(51)58;1-4-22-52-46(18-1)20-17-35-71(52)74(50-40-41-59-56-26-7-6-24-54(56)55-25-8-10-28-58(55)65(59)43-50)72-45-70-66(62-31-13-16-34-69(62)73(70)67-32-14-11-29-60(67)61-30-12-15-33-68(61)73)44-64(72)48-38-36-47(37-39-48)63-42-49-19-2-3-21-51(49)53-23-5-9-27-57(53)63;1-2-17-49(18-3-1)70(50-37-39-57-55-22-7-6-20-53(55)54-21-8-9-23-56(54)62(57)41-50)68-43-67-63(60-26-12-15-29-66(60)69(67)64-27-13-10-24-58(64)59-25-11-14-28-65(59)69)42-61(68)46-32-30-44(31-33-46)47-36-38-52-48(40-47)35-34-45-16-4-5-19-51(45)52;/h1-47H;1-45H;1-43H;1H4
InChIKeyJIFAVUBLXPDQBQ-UHFFFAOYSA-N
XLogP59.26
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms221
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002800.53
LogP ≤ 559.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3'-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729866
N-naphthalen-1-yl-3'-(4-phenanthren-3-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729121
3'-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(4-naphthalen-2-ylphenyl)-N-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 159585396
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
3'-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729790
3'-phenanthren-3-yl-N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729232
N,3'-bis(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(2-phenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 160941164
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
3'-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729929
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'-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729933
N-phenyl-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729743

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.c1ccc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3ccc(-c5ccc6c(ccc7ccccc76)c5)cc3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2cc3c(cc2-c2ccc(-c4ccc5c(ccc6ccccc65)c4)cc2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4ccccc34)cc21.
What is the InChIKey of 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?
The InChIKey is JIFAVUBLXPDQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H47N.C73H45N.C69H43N.CH4/c1-2-16-48(17-3-1)49-36-39-55(40-37-49)76(56-41-43-63-61-22-7-6-20-59(61)60-21-8-9-23-62(60)68(63)45-56)74-47-73-69(66-26-12-15-29-72(66)75(73)70-27-13-10-24-64(70)65-25-11-14-28-71(65)75)46-67(74)52-32-30-50(31-33-52)53-38-42-58-54(44-53)35-34-51-18-4-5-19-57(51)58;1-4-22-52-46(18-1)20-17-35-71(52)74(50-40-41-59-56-26-7-6-24-54(56)55-25-8-10-28-58(55)65(59)43-50)72-45-70-66(62-31-13-16-34-69(62)73(70)67-32-14-11-29-60(67)61-30-12-15-33-68(61)73)44-64(72)48-38-36-47(37-39-48)63-42-49-19-2-3-21-51(49)53-23-5-9-27-57(53)63;1-2-17-49(18-3-1)70(50-37-39-57-55-22-7-6-20-53(55)54-21-8-9-23-56(54)62(57)41-50)68-43-67-63(60-26-12-15-29-66(60)69(67)64-27-13-10-24-58(64)59-25-11-14-28-65(59)69)42-61(68)46-32-30-44(31-33-46)47-36-38-52-48(40-47)35-34-45-16-4-5-19-51(45)52;/h1-47H;1-45H;1-43H;1H4.
What are the key properties of 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?
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 has a molecular weight of 2800.53 g/mol, XLogP of 59.26, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158924092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).