N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine

C55H35N — CID 130308471

IUPACN-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1
InChIInChI=1S/C55H35N/c1-2-15-36(16-3-1)37-17-14-18-38(33-37)56(39-29-31-45-43-21-5-4-19-41(43)42-20-6-7-22-44(42)49(45)34-39)40-30-32-54-50(35-40)48-25-10-13-28-53(48)55(54)51-26-11-8-23-46(51)47-24-9-12-27-52(47)55/h1-35H
InChIKeyGCHJBCAJUMGJQQ-UHFFFAOYSA-N
MW709.89 g/mol
LogP14.63
Rot. Bonds4

About N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine

N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine (PubChem CID 130308471) has the molecular formula C55H35N and a molecular weight of 709.89 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
PubChem CID130308471
Molecular FormulaC55H35N
Molecular Weight709.89 g/mol
Exact Mass709.28
IUPAC NameN-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1
InChIInChI=1S/C55H35N/c1-2-15-36(16-3-1)37-17-14-18-38(33-37)56(39-29-31-45-43-21-5-4-19-41(43)42-20-6-7-22-44(42)49(45)34-39)40-30-32-54-50(35-40)48-25-10-13-28-53(48)55(54)51-26-11-8-23-46(51)47-24-9-12-27-52(47)55/h1-35H
InChIKeyGCHJBCAJUMGJQQ-UHFFFAOYSA-N
XLogP14.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.89
LogP ≤ 514.63
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

3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167177981
N-(9,9'-spirobi[fluorene]-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308589
N-[4-(4-phenylphenyl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
CID 130308912
N-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
CID 134568039
N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168750058
3'-(2-phenylphenyl)-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729793
N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308450
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-3-amine
CID 169062194
N-phenyl-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729743
N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476010
3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167236339
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308762

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine (CID 130308471) is N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is GCHJBCAJUMGJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N/c1-2-15-36(16-3-1)37-17-14-18-38(33-37)56(39-29-31-45-43-21-5-4-19-41(43)42-20-6-7-22-44(42)49(45)34-39)40-30-32-54-50(35-40)48-25-10-13-28-53(48)55(54)51-26-11-8-23-46(51)47-24-9-12-27-52(47)55/h1-35H.
What are the key properties of N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine?
N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 709.89 g/mol, XLogP of 14.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 130308471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).