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

C62H39NO — CID 130309191

IUPACN-(4-dibenzofuran-2-yl-3-methylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
SMILESCc1cc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)ccc1-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C62H39NO/c1-38-35-40(30-32-42(38)39-29-34-60-53(36-39)50-21-9-13-28-59(50)64-60)63(41-31-33-47-45-17-3-2-15-43(45)44-16-4-5-18-46(44)52(47)37-41)58-27-14-26-57-61(58)51-22-8-12-25-56(51)62(57)54-23-10-6-19-48(54)49-20-7-11-24-55(49)62/h2-37H,1H3
InChIKeyXGAZFXBUVXHCTC-UHFFFAOYSA-N
MW814.00 g/mol
LogP16.83
Rot. Bonds4

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

N-(4-dibenzofuran-2-yl-3-methylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine (PubChem CID 130309191) has the molecular formula C62H39NO and a molecular weight of 814.00 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-yl-3-methylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-yl-3-methylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
PubChem CID130309191
Molecular FormulaC62H39NO
Molecular Weight814.00 g/mol
Exact Mass813.30
IUPAC NameN-(4-dibenzofuran-2-yl-3-methylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
SMILESCc1cc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)ccc1-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C62H39NO/c1-38-35-40(30-32-42(38)39-29-34-60-53(36-39)50-21-9-13-28-59(50)64-60)63(41-31-33-47-45-17-3-2-15-43(45)44-16-4-5-18-46(44)52(47)37-41)58-27-14-26-57-61(58)51-22-8-12-25-56(51)62(57)54-23-10-6-19-48(54)49-20-7-11-24-55(49)62/h2-37H,1H3
InChIKeyXGAZFXBUVXHCTC-UHFFFAOYSA-N
XLogP16.83
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.00
LogP ≤ 516.83
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-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 177287638
N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-2-amine
CID 130263998
N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-3-amine
CID 177287705
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 164990095
N-(3-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167176749
N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308817
N-(4-dibenzofuran-3-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-spiro[fluorene-9,9'-xanthene]-4-yl-N-triphenylen-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 160969279
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 129267011
4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 177130904
3'-dibenzofuran-2-yl-N-naphthalen-1-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729491
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
CID 130308913
N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine
CID 139352149

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-yl-3-methylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(4-dibenzofuran-2-yl-3-methylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine (CID 130309191) is N-(4-dibenzofuran-2-yl-3-methylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-yl-3-methylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(4-dibenzofuran-2-yl-3-methylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine is Cc1cc(N(c2ccc3c4ccccc4c4ccccc4c3c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)ccc1-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-(4-dibenzofuran-2-yl-3-methylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is XGAZFXBUVXHCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NO/c1-38-35-40(30-32-42(38)39-29-34-60-53(36-39)50-21-9-13-28-59(50)64-60)63(41-31-33-47-45-17-3-2-15-43(45)44-16-4-5-18-46(44)52(47)37-41)58-27-14-26-57-61(58)51-22-8-12-25-56(51)62(57)54-23-10-6-19-48(54)49-20-7-11-24-55(49)62/h2-37H,1H3.
What are the key properties of N-(4-dibenzofuran-2-yl-3-methylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine?
N-(4-dibenzofuran-2-yl-3-methylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 814.00 g/mol, XLogP of 16.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-yl-3-methylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 130309191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).