N-[2-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[3-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine

C177H111N3S3 — CID 158668118

IUPACN-[2-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[3-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)s2)cc1.c1ccc(-c2ccc(-c3cccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)s2)cc1.c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)s2)cc1
InChIInChI=1S/3C59H37NS/c1-2-17-38(18-3-1)56-35-36-57(61-56)48-26-11-15-31-54(48)60(39-33-34-44-42-21-5-4-19-40(42)41-20-6-7-22-43(41)49(44)37-39)55-32-16-30-53-58(55)47-25-10-14-29-52(47)59(53)50-27-12-8-23-45(50)46-24-9-13-28-51(46)59;1-2-16-38(17-3-1)56-34-35-57(61-56)39-18-14-19-40(36-39)60(41-32-33-46-44-22-5-4-20-42(44)43-21-6-7-23-45(43)50(46)37-41)55-31-15-30-54-58(55)49-26-10-13-29-53(49)59(54)51-27-11-8-24-47(51)48-25-9-12-28-52(48)59;1-2-15-38(16-3-1)56-35-36-57(61-56)39-29-31-40(32-30-39)60(41-33-34-46-44-19-5-4-17-42(44)43-18-6-7-20-45(43)50(46)37-41)55-28-14-27-54-58(55)49-23-10-13-26-53(49)59(54)51-24-11-8-21-47(51)48-22-9-12-25-52(48)59/h3*1-37H
InChIKeyIDPOIEUUDJFHGK-UHFFFAOYSA-N
MW2376.06 g/mol
LogP49.06
Rot. Bonds15

About N-[2-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[3-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine

N-[2-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[3-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine (PubChem CID 158668118) has the molecular formula C177H111N3S3 and a molecular weight of 2376.06 g/mol. Its IUPAC name is N-[2-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[3-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-[2-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[3-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
PubChem CID158668118
Molecular FormulaC177H111N3S3
Molecular Weight2376.06 g/mol
Exact Mass2373.79
IUPAC NameN-[2-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[3-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)s2)cc1.c1ccc(-c2ccc(-c3cccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)s2)cc1.c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)s2)cc1
InChIInChI=1S/3C59H37NS/c1-2-17-38(18-3-1)56-35-36-57(61-56)48-26-11-15-31-54(48)60(39-33-34-44-42-21-5-4-19-40(42)41-20-6-7-22-43(41)49(44)37-39)55-32-16-30-53-58(55)47-25-10-14-29-52(47)59(53)50-27-12-8-23-45(50)46-24-9-13-28-51(46)59;1-2-16-38(17-3-1)56-34-35-57(61-56)39-18-14-19-40(36-39)60(41-32-33-46-44-22-5-4-20-42(44)43-21-6-7-23-45(43)50(46)37-41)55-31-15-30-54-58(55)49-26-10-13-29-53(49)59(54)51-27-11-8-24-47(51)48-25-9-12-28-52(48)59;1-2-15-38(16-3-1)56-35-36-57(61-56)39-29-31-40(32-30-39)60(41-33-34-46-44-19-5-4-17-42(44)43-18-6-7-20-45(43)50(46)37-41)55-28-14-27-54-58(55)49-23-10-13-26-53(49)59(54)51-24-11-8-21-47(51)48-22-9-12-25-52(48)59/h3*1-37H
InChIKeyIDPOIEUUDJFHGK-UHFFFAOYSA-N
XLogP49.06
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms183
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002376.06
LogP ≤ 549.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[3-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine with MolForge

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Related Compounds

N-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308524
N-(3-dibenzothiophen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308853
N-(2-dibenzothiophen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308861
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308860
CID 158813700
CID 158813700
4-N-phenyl-3-N'-(2-phenylphenyl)-4-N-(3-phenylphenyl)-3-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 167176826
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266510
N-[4-[4-(trifluoromethoxy)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130309128
N-phenyl-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-4-amine
CID 134568070
N-(3,5-dinaphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308534

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[3-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-[2-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[3-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine (CID 158668118) is N-[2-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[3-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-[2-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[3-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-[2-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[3-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)s2)cc1.c1ccc(-c2ccc(-c3cccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c3)s2)cc1.c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)s2)cc1.
What is the InChIKey of N-[2-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[3-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is IDPOIEUUDJFHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C59H37NS/c1-2-17-38(18-3-1)56-35-36-57(61-56)48-26-11-15-31-54(48)60(39-33-34-44-42-21-5-4-19-40(42)41-20-6-7-22-43(41)49(44)37-39)55-32-16-30-53-58(55)47-25-10-14-29-52(47)59(53)50-27-12-8-23-45(50)46-24-9-13-28-51(46)59;1-2-16-38(17-3-1)56-34-35-57(61-56)39-18-14-19-40(36-39)60(41-32-33-46-44-22-5-4-20-42(44)43-21-6-7-23-45(43)50(46)37-41)55-31-15-30-54-58(55)49-26-10-13-29-53(49)59(54)51-27-11-8-24-47(51)48-25-9-12-28-52(48)59;1-2-15-38(16-3-1)56-35-36-57(61-56)39-29-31-40(32-30-39)60(41-33-34-46-44-19-5-4-17-42(44)43-18-6-7-20-45(43)50(46)37-41)55-28-14-27-54-58(55)49-23-10-13-26-53(49)59(54)51-24-11-8-21-47(51)48-22-9-12-25-52(48)59/h3*1-37H.
What are the key properties of N-[2-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[3-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
N-[2-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[3-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 2376.06 g/mol, XLogP of 49.06, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[3-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine;N-[4-(5-phenylthiophen-2-yl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 158668118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).