N-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine

C65H39NO — CID 130309204

IUPACN-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5oc6cc7ccccc7cc6c45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21
InChIInChI=1S/C65H39NO/c1-2-15-42-37-63-57(36-41(42)14-1)64-46(23-13-27-62(64)67-63)40-28-30-43(31-29-40)66(44-32-34-51-49-18-4-3-16-47(49)48-17-5-6-19-50(48)56(51)38-44)45-33-35-55-54-22-9-12-26-60(54)65(61(55)39-45)58-24-10-7-20-52(58)53-21-8-11-25-59(53)65/h1-39H
InChIKeyDZANOTNAFDJMEM-UHFFFAOYSA-N
MW850.03 g/mol
LogP17.68
Rot. Bonds4

About N-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine

N-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 130309204) has the molecular formula C65H39NO and a molecular weight of 850.03 g/mol. Its IUPAC name is N-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
PubChem CID130309204
Molecular FormulaC65H39NO
Molecular Weight850.03 g/mol
Exact Mass849.30
IUPAC NameN-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5oc6cc7ccccc7cc6c45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21
InChIInChI=1S/C65H39NO/c1-2-15-42-37-63-57(36-41(42)14-1)64-46(23-13-27-62(64)67-63)40-28-30-43(31-29-40)66(44-32-34-51-49-18-4-3-16-47(49)48-17-5-6-19-50(48)56(51)38-44)45-33-35-55-54-22-9-12-26-60(54)65(61(55)39-45)58-24-10-7-20-52(58)53-21-8-11-25-59(53)65/h1-39H
InChIKeyDZANOTNAFDJMEM-UHFFFAOYSA-N
XLogP17.68
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.03
LogP ≤ 517.68
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-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309187
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 177113965
7-N,19-N-bis(4-phenylphenyl)-7-N,19-N-bis(9,9'-spirobi[fluorene]-2-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303332
N-(4-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168807492
N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476102
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
CID 130308913
N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308450
N,N-bis(9,9'-spirobi[fluorene]-2-yl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-amine
CID 167121459
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565735
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 167330969
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308762
N-(4-naphtho[1,2-b][1]benzothiol-7-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309214

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine (CID 130309204) is N-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5oc6cc7ccccc7cc6c45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc21.
What is the InChIKey of N-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is DZANOTNAFDJMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39NO/c1-2-15-42-37-63-57(36-41(42)14-1)64-46(23-13-27-62(64)67-63)40-28-30-43(31-29-40)66(44-32-34-51-49-18-4-3-16-47(49)48-17-5-6-19-50(48)56(51)38-44)45-33-35-55-54-22-9-12-26-60(54)65(61(55)39-45)58-24-10-7-20-52(58)53-21-8-11-25-59(53)65/h1-39H.
What are the key properties of N-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine?
N-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 850.03 g/mol, XLogP of 17.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 130309204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).