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

C215H135N3 — CID 161164298

IUPACN-(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
SMILESc1ccc(-c2ccc(-c3cc4c(cc3N(c3ccc(-c5ccc6ccccc6c5)cc3)c3ccc5c6ccccc6c6ccccc6c5c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(-c3cc4c(cc3N(c3ccc(-c5cccc6ccccc56)cc3)c3ccc5c6ccccc6c6ccccc6c5c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(-c3cc4c(cc3N(c3ccc5c6ccccc6c6ccccc6c5c3)c3ccc5c6ccccc6c6ccccc6c5c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C73H45N.2C71H45N/c1-2-18-46(19-3-1)47-34-36-48(37-35-47)64-44-67-63-30-14-17-33-70(63)73(68-31-15-12-28-61(68)62-29-13-16-32-69(62)73)71(67)45-72(64)74(49-38-40-59-55-24-6-4-20-51(55)53-22-8-10-26-57(53)65(59)42-49)50-39-41-60-56-25-7-5-21-52(56)54-23-9-11-27-58(54)66(60)43-50;1-2-17-46(18-3-1)47-33-35-50(36-34-47)63-44-65-62-28-12-15-32-68(62)71(66-30-13-10-26-60(66)61-27-11-14-31-67(61)71)69(65)45-70(63)72(51-39-37-49(38-40-51)54-29-16-20-48-19-4-5-21-53(48)54)52-41-42-59-57-24-7-6-22-55(57)56-23-8-9-25-58(56)64(59)43-52;1-2-16-46(17-3-1)48-30-33-50(34-31-48)63-44-65-62-26-12-15-29-68(62)71(66-27-13-10-24-60(66)61-25-11-14-28-67(61)71)69(65)45-70(63)72(53-38-36-49(37-39-53)52-35-32-47-18-4-5-19-51(47)42-52)54-40-41-59-57-22-7-6-20-55(57)56-21-8-9-23-58(56)64(59)43-54/h1-45H;2*1-45H
InChIKeyUQIAESOQXHRANE-UHFFFAOYSA-N
MW2760.47 g/mol
LogP57.98
Rot. Bonds17

About 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

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 (PubChem CID 161164298) has the molecular formula C215H135N3 and a molecular weight of 2760.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID161164298
Molecular FormulaC215H135N3
Molecular Weight2760.47 g/mol
Exact Mass2758.07
IUPAC NameN-(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
SMILESc1ccc(-c2ccc(-c3cc4c(cc3N(c3ccc(-c5ccc6ccccc6c5)cc3)c3ccc5c6ccccc6c6ccccc6c5c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(-c3cc4c(cc3N(c3ccc(-c5cccc6ccccc56)cc3)c3ccc5c6ccccc6c6ccccc6c5c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(-c3cc4c(cc3N(c3ccc5c6ccccc6c6ccccc6c5c3)c3ccc5c6ccccc6c6ccccc6c5c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C73H45N.2C71H45N/c1-2-18-46(19-3-1)47-34-36-48(37-35-47)64-44-67-63-30-14-17-33-70(63)73(68-31-15-12-28-61(68)62-29-13-16-32-69(62)73)71(67)45-72(64)74(49-38-40-59-55-24-6-4-20-51(55)53-22-8-10-26-57(53)65(59)42-49)50-39-41-60-56-25-7-5-21-52(56)54-23-9-11-27-58(54)66(60)43-50;1-2-17-46(18-3-1)47-33-35-50(36-34-47)63-44-65-62-28-12-15-32-68(62)71(66-30-13-10-26-60(66)61-27-11-14-31-67(61)71)69(65)45-70(63)72(51-39-37-49(38-40-51)54-29-16-20-48-19-4-5-21-53(48)54)52-41-42-59-57-24-7-6-22-55(57)56-23-8-9-25-58(56)64(59)43-52;1-2-16-46(17-3-1)48-30-33-50(34-31-48)63-44-65-62-26-12-15-29-68(62)71(66-27-13-10-24-60(66)61-25-11-14-28-67(61)71)69(65)45-70(63)72(53-38-36-49(37-39-53)52-35-32-47-18-4-5-19-51(47)42-52)54-40-41-59-57-22-7-6-20-55(57)56-21-8-9-23-58(56)64(59)43-54/h1-45H;2*1-45H
InChIKeyUQIAESOQXHRANE-UHFFFAOYSA-N
XLogP57.98
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms218
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002760.47
LogP ≤ 557.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
3'-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729790
3'-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729933
3'-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729929
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
3'-phenanthren-3-yl-N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729232
3'-(9,9-dimethylfluoren-1-yl)-N-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(9,9-dimethylfluoren-1-yl)-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 161044266
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'-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729312
N-phenyl-3'-[7-[10-(4-phenyl-N-(3'-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729536
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3cc4c(cc3N(c3ccc(-c5ccc6ccccc6c5)cc3)c3ccc5c6ccccc6c6ccccc6c5c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(-c3cc4c(cc3N(c3ccc(-c5cccc6ccccc56)cc3)c3ccc5c6ccccc6c6ccccc6c5c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(-c3cc4c(cc3N(c3ccc5c6ccccc6c6ccccc6c5c3)c3ccc5c6ccccc6c6ccccc6c5c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is UQIAESOQXHRANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H45N.2C71H45N/c1-2-18-46(19-3-1)47-34-36-48(37-35-47)64-44-67-63-30-14-17-33-70(63)73(68-31-15-12-28-61(68)62-29-13-16-32-69(62)73)71(67)45-72(64)74(49-38-40-59-55-24-6-4-20-51(55)53-22-8-10-26-57(53)65(59)42-49)50-39-41-60-56-25-7-5-21-52(56)54-23-9-11-27-58(54)66(60)43-50;1-2-17-46(18-3-1)47-33-35-50(36-34-47)63-44-65-62-28-12-15-32-68(62)71(66-30-13-10-26-60(66)61-27-11-14-31-67(61)71)69(65)45-70(63)72(51-39-37-49(38-40-51)54-29-16-20-48-19-4-5-21-53(48)54)52-41-42-59-57-24-7-6-22-55(57)56-23-8-9-25-58(56)64(59)43-52;1-2-16-46(17-3-1)48-30-33-50(34-31-48)63-44-65-62-26-12-15-29-68(62)71(66-27-13-10-24-60(66)61-25-11-14-28-67(61)71)69(65)45-70(63)72(53-38-36-49(37-39-53)52-35-32-47-18-4-5-19-51(47)42-52)54-40-41-59-57-22-7-6-20-55(57)56-21-8-9-23-58(56)64(59)43-54/h1-45H;2*1-45H.
What are the key properties of 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?
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 has a molecular weight of 2760.47 g/mol, XLogP of 57.98, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161164298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).