N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]thiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine

C59H37NS — CID 155105438

IUPACN-phenyl-N-[4-(3-phenylphenanthro[9,10-b]thiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)sc3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C59H37NS/c1-3-17-38(18-4-1)55-56-49-26-9-7-21-43(49)44-22-8-10-27-50(44)58(56)61-57(55)39-31-33-41(34-32-39)60(40-19-5-2-6-20-40)42-35-36-48-47-25-13-16-30-53(47)59(54(48)37-42)51-28-14-11-23-45(51)46-24-12-15-29-52(46)59/h1-37H
InChIKeyWZEHCPVWPVYTRP-UHFFFAOYSA-N
MW792.02 g/mol
LogP16.35
Rot. Bonds5

About N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]thiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine

N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]thiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 155105438) has the molecular formula C59H37NS and a molecular weight of 792.02 g/mol. Its IUPAC name is N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]thiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(3-phenylphenanthro[9,10-b]thiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID155105438
Molecular FormulaC59H37NS
Molecular Weight792.02 g/mol
Exact Mass791.26
IUPAC NameN-phenyl-N-[4-(3-phenylphenanthro[9,10-b]thiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)sc3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C59H37NS/c1-3-17-38(18-4-1)55-56-49-26-9-7-21-43(49)44-22-8-10-27-50(44)58(56)61-57(55)39-31-33-41(34-32-39)60(40-19-5-2-6-20-40)42-35-36-48-47-25-13-16-30-53(47)59(54(48)37-42)51-28-14-11-23-45(51)46-24-12-15-29-52(46)59/h1-37H
InChIKeyWZEHCPVWPVYTRP-UHFFFAOYSA-N
XLogP16.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.02
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 135137313
CID 171402038
CID 171402038
N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308450
9,9-diphenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 169280776
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134567998
N-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155303553
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582
N-phenyl-N-[4-[1-[4-(4-phenylphenyl)phenyl]naphthalen-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166048497
N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118298525
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391793

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]thiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]thiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 155105438) is N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]thiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]thiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]thiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)sc3c4ccccc4c4ccccc4c23)cc1.
What is the InChIKey of N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]thiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is WZEHCPVWPVYTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37NS/c1-3-17-38(18-4-1)55-56-49-26-9-7-21-43(49)44-22-8-10-27-50(44)58(56)61-57(55)39-31-33-41(34-32-39)60(40-19-5-2-6-20-40)42-35-36-48-47-25-13-16-30-53(47)59(54(48)37-42)51-28-14-11-23-45(51)46-24-12-15-29-52(46)59/h1-37H.
What are the key properties of N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]thiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]thiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 792.02 g/mol, XLogP of 16.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]thiophen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 155105438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).