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

C61H39N — CID 130308422

IUPACN-[2-(2-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc3c4ccccc4c4ccccc4c3c2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C61H39N/c1-2-19-40(20-3-1)42-21-4-5-22-43(42)52-30-13-17-35-58(52)62(41-37-38-48-46-25-7-6-23-44(46)45-24-8-9-26-47(45)54(48)39-41)59-36-18-31-53-51-29-12-16-34-57(51)61(60(53)59)55-32-14-10-27-49(55)50-28-11-15-33-56(50)61/h1-39H
InChIKeySEVQJDBYRVTQGY-UHFFFAOYSA-N
MW785.99 g/mol
LogP16.29
Rot. Bonds5

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

N-[2-(2-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine (PubChem CID 130308422) has the molecular formula C61H39N and a molecular weight of 785.99 g/mol. Its IUPAC name is N-[2-(2-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound NameN-[2-(2-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
PubChem CID130308422
Molecular FormulaC61H39N
Molecular Weight785.99 g/mol
Exact Mass785.31
IUPAC NameN-[2-(2-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2N(c2ccc3c4ccccc4c4ccccc4c3c2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C61H39N/c1-2-19-40(20-3-1)42-21-4-5-22-43(42)52-30-13-17-35-58(52)62(41-37-38-48-46-25-7-6-23-44(46)45-24-8-9-26-47(45)54(48)39-41)59-36-18-31-53-51-29-12-16-34-57(51)61(60(53)59)55-32-14-10-27-49(55)50-28-11-15-33-56(50)61/h1-39H
InChIKeySEVQJDBYRVTQGY-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-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308420
N-(9-methyl-9-phenylfluoren-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308572
N-(2-dibenzothiophen-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308634
N-(9,9'-spirobi[fluorene]-2-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-1-amine
CID 130309037
3'-(2-phenylphenyl)-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729793
N,N-bis(2-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
CID 156664728
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-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308524
N-(3-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308639
N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-1-amine
CID 177063669
N-(2,4-diphenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729354

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of N-[2-(2-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine (CID 130308422) is N-[2-(2-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for N-[2-(2-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for N-[2-(2-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine is c1ccc(-c2ccccc2-c2ccccc2N(c2ccc3c4ccccc4c4ccccc4c3c2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-[2-(2-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is SEVQJDBYRVTQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N/c1-2-19-40(20-3-1)42-21-4-5-22-43(42)52-30-13-17-35-58(52)62(41-37-38-48-46-25-7-6-23-44(46)45-24-8-9-26-47(45)54(48)39-41)59-36-18-31-53-51-29-12-16-34-57(51)61(60(53)59)55-32-14-10-27-49(55)50-28-11-15-33-56(50)61/h1-39H.
What are the key properties of N-[2-(2-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine?
N-[2-(2-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-[2-(2-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 130308422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).