N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine

C61H39N — CID 130308420

IUPACN-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C61H39N/c1-2-15-40(16-3-1)41-29-31-42(32-30-41)43-33-35-44(36-34-43)62(45-37-38-50-48-19-5-4-17-46(48)47-18-6-7-20-49(47)55(50)39-45)59-28-14-24-54-53-23-10-13-27-58(53)61(60(54)59)56-25-11-8-21-51(56)52-22-9-12-26-57(52)61/h1-39H
InChIKeyWEOIXBVCZQVFLU-UHFFFAOYSA-N
MW785.99 g/mol
LogP16.29
Rot. Bonds5

About N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine

N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine (PubChem CID 130308420) has the molecular formula C61H39N and a molecular weight of 785.99 g/mol. Its IUPAC name is N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound NameN-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
PubChem CID130308420
Molecular FormulaC61H39N
Molecular Weight785.99 g/mol
Exact Mass785.31
IUPAC NameN-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C61H39N/c1-2-15-40(16-3-1)41-29-31-42(32-30-41)43-33-35-44(36-34-43)62(45-37-38-50-48-19-5-4-17-46(48)47-18-6-7-20-49(47)55(50)39-45)59-28-14-24-54-53-23-10-13-27-58(53)61(60(54)59)56-25-11-8-21-51(56)52-22-9-12-26-57(52)61/h1-39H
InChIKeyWEOIXBVCZQVFLU-UHFFFAOYSA-N
XLogP16.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.99
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308426
N-[2-(2-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308422
N-[6-[7-(N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)anilino)triphenylen-2-yl]triphenylen-2-yl]-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-1'-amine
CID 167177372
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308649
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
CID 90277788
N-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308524
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine
CID 145144966
N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
N-(9,9-dimethylfluoren-2-yl)-N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 122493630
N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308450
3'-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729929
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine (CID 130308420) is N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is WEOIXBVCZQVFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N/c1-2-15-40(16-3-1)41-29-31-42(32-30-41)43-33-35-44(36-34-43)62(45-37-38-50-48-19-5-4-17-46(48)47-18-6-7-20-49(47)55(50)39-45)59-28-14-24-54-53-23-10-13-27-58(53)61(60(54)59)56-25-11-8-21-51(56)52-22-9-12-26-57(52)61/h1-39H.
What are the key properties of N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine?
N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 785.99 g/mol, XLogP of 16.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 130308420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).