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

C61H39N — CID 138729743

IUPACN-phenyl-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc(-c2cccc(-c3cc4c(cc3N(c3ccccc3)c3ccc5c6ccccc6c6ccccc6c5c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1
InChIInChI=1S/C61H39N/c1-3-18-40(19-4-1)41-20-17-21-42(36-41)53-38-55-52-30-13-16-33-58(52)61(56-31-14-11-28-50(56)51-29-12-15-32-57(51)61)59(55)39-60(53)62(43-22-5-2-6-23-43)44-34-35-49-47-26-8-7-24-45(47)46-25-9-10-27-48(46)54(49)37-44/h1-39H
InChIKeyOVHKOZXUKFAKJG-UHFFFAOYSA-N
MW785.99 g/mol
LogP16.29
Rot. Bonds5

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

N-phenyl-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 138729743) has the molecular formula C61H39N and a molecular weight of 785.99 g/mol. Its IUPAC name is N-phenyl-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-phenyl-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
PubChem CID138729743
Molecular FormulaC61H39N
Molecular Weight785.99 g/mol
Exact Mass785.31
IUPAC NameN-phenyl-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc(-c2cccc(-c3cc4c(cc3N(c3ccccc3)c3ccc5c6ccccc6c6ccccc6c5c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1
InChIInChI=1S/C61H39N/c1-3-18-40(19-4-1)41-20-17-21-42(36-41)53-38-55-52-30-13-16-33-58(52)61(56-31-14-11-28-50(56)51-29-12-15-32-57(51)61)59(55)39-60(53)62(43-22-5-2-6-23-43)44-34-35-49-47-26-8-7-24-45(47)46-25-9-10-27-48(46)54(49)37-44/h1-39H
InChIKeyOVHKOZXUKFAKJG-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-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,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
3'-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729929
3'-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729790
N-(2,4-diphenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729354
3'-(2-phenylphenyl)-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729793
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'-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729866
3'-phenanthren-3-yl-N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729232
3'-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138728973
3'-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729933
N-(3,4-diphenylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729788

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-phenyl-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (CID 138729743) is N-phenyl-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-phenyl-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-phenyl-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is c1ccc(-c2cccc(-c3cc4c(cc3N(c3ccccc3)c3ccc5c6ccccc6c6ccccc6c5c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1.
What is the InChIKey of N-phenyl-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is OVHKOZXUKFAKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N/c1-3-18-40(19-4-1)41-20-17-21-42(36-41)53-38-55-52-30-13-16-33-58(52)61(56-31-14-11-28-50(56)51-29-12-15-32-57(51)61)59(55)39-60(53)62(43-22-5-2-6-23-43)44-34-35-49-47-26-8-7-24-45(47)46-25-9-10-27-48(46)54(49)37-44/h1-39H.
What are the key properties of N-phenyl-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
N-phenyl-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-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-phenyl-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 138729743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).