N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine

C61H37NO — CID 130308754

IUPACN-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c2ccc3c4ccccc4c4ccccc4c3c2)c(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C61H37NO/c1-2-18-42-40(16-1)41-17-3-4-19-43(41)52-36-38(32-34-44(42)52)62(58-30-13-8-23-48(58)50-25-15-26-51-49-24-9-14-31-59(49)63-60(50)51)39-33-35-57-53(37-39)47-22-7-12-29-56(47)61(57)54-27-10-5-20-45(54)46-21-6-11-28-55(46)61/h1-37H
InChIKeyZFRRUMNMZILVPD-UHFFFAOYSA-N
MW799.97 g/mol
LogP16.53
Rot. Bonds4

About N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine

N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine (PubChem CID 130308754) has the molecular formula C61H37NO and a molecular weight of 799.97 g/mol. Its IUPAC name is N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
PubChem CID130308754
Molecular FormulaC61H37NO
Molecular Weight799.97 g/mol
Exact Mass799.29
IUPAC NameN-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c2ccc3c4ccccc4c4ccccc4c3c2)c(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C61H37NO/c1-2-18-42-40(16-1)41-17-3-4-19-43(41)52-36-38(32-34-44(42)52)62(58-30-13-8-23-48(58)50-25-15-26-51-49-24-9-14-31-59(49)63-60(50)51)39-33-35-57-53(37-39)47-22-7-12-29-56(47)61(57)54-27-10-5-20-45(54)46-21-6-11-28-55(46)61/h1-37H
InChIKeyZFRRUMNMZILVPD-UHFFFAOYSA-N
XLogP16.53
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.97
LogP ≤ 516.53
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-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 167177941
N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309054
N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308817
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
CID 121424846
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-dibenzofuran-4-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 158083207
3'-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729029
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine
CID 122675382
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 176583281
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285
N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
CID 121424840
bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphanyl]phosphane;N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-amine
CID 160545651
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine;N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
CID 157347077

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine (CID 130308754) is N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine is c1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c2ccc3c4ccccc4c4ccccc4c3c2)c(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is ZFRRUMNMZILVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37NO/c1-2-18-42-40(16-1)41-17-3-4-19-43(41)52-36-38(32-34-44(42)52)62(58-30-13-8-23-48(58)50-25-15-26-51-49-24-9-14-31-59(49)63-60(50)51)39-33-35-57-53(37-39)47-22-7-12-29-56(47)61(57)54-27-10-5-20-45(54)46-21-6-11-28-55(46)61/h1-37H.
What are the key properties of N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine?
N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 799.97 g/mol, XLogP of 16.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 130308754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).