N-[2-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-fluoreno[4,3-b][1]benzofuran]-10'-amine

C65H42N2O2 — CID 155061831

IUPACN-[2-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-fluoreno[4,3-b][1]benzofuran]-10'-amine
SMILESCc1oc2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3c(ccc5c3oc3ccccc35)C43c4ccccc4-n4c5ccccc5c5cccc3c54)cc2c1C
InChIInChI=1S/C65H42N2O2/c1-39-40(2)68-61-36-29-43(37-51(39)61)46-17-6-10-23-57(46)66(44-30-27-42(28-31-44)41-15-4-3-5-16-41)45-32-34-53-52(38-45)62-55(35-33-50-48-19-8-13-26-60(48)69-64(50)62)65(53)54-21-9-12-25-59(54)67-58-24-11-7-18-47(58)49-20-14-22-56(65)63(49)67/h3-38H,1-2H3
InChIKeyRAPKRKZCPWEBJH-UHFFFAOYSA-N
MW883.06 g/mol
LogP17.53
Rot. Bonds5

About N-[2-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-fluoreno[4,3-b][1]benzofuran]-10'-amine

N-[2-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-fluoreno[4,3-b][1]benzofuran]-10'-amine (PubChem CID 155061831) has the molecular formula C65H42N2O2 and a molecular weight of 883.06 g/mol. Its IUPAC name is N-[2-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-fluoreno[4,3-b][1]benzofuran]-10'-amine.

Molecular Properties

Compound NameN-[2-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-fluoreno[4,3-b][1]benzofuran]-10'-amine
PubChem CID155061831
Molecular FormulaC65H42N2O2
Molecular Weight883.06 g/mol
Exact Mass882.32
IUPAC NameN-[2-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-fluoreno[4,3-b][1]benzofuran]-10'-amine
SMILESCc1oc2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3c(ccc5c3oc3ccccc35)C43c4ccccc4-n4c5ccccc5c5cccc3c54)cc2c1C
InChIInChI=1S/C65H42N2O2/c1-39-40(2)68-61-36-29-43(37-51(39)61)46-17-6-10-23-57(46)66(44-30-27-42(28-31-44)41-15-4-3-5-16-41)45-32-34-53-52(38-45)62-55(35-33-50-48-19-8-13-26-60(48)69-64(50)62)65(53)54-21-9-12-25-59(54)67-58-24-11-7-18-47(58)49-20-14-22-56(65)63(49)67/h3-38H,1-2H3
InChIKeyRAPKRKZCPWEBJH-UHFFFAOYSA-N
XLogP17.53
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.06
LogP ≤ 517.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-fluoreno[4,3-b][1]benzofuran]-10'-amine with MolForge

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Related Compounds

N-(2-dibenzofuran-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135166459
N-(4-dibenzofuran-2-ylphenyl)-2-(4-phenylphenyl)-N-(2-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline
CID 135167045
N-(4-dibenzofuran-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine
CID 135167231
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-6-[6-[3-[2-(4-phenylphenyl)-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylanilino]phenyl]dibenzofuran-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 155297036
N-phenyl-N-(2-triphenylen-2-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine
CID 167177250
N-(4-dibenzofuran-4-ylphenyl)-2-(2-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline
CID 135166911
N-(4-dibenzofuran-3-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 158907379
N-(4-dibenzofuran-2-ylphenyl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 157126785
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;N-(3-dibenzofuran-4-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 159535687
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 159413400
N-[2-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135166289
N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135166479

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-fluoreno[4,3-b][1]benzofuran]-10'-amine?
The IUPAC name of N-[2-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-fluoreno[4,3-b][1]benzofuran]-10'-amine (CID 155061831) is N-[2-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-fluoreno[4,3-b][1]benzofuran]-10'-amine.
What is the SMILES notation for N-[2-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-fluoreno[4,3-b][1]benzofuran]-10'-amine?
The canonical SMILES for N-[2-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-fluoreno[4,3-b][1]benzofuran]-10'-amine is Cc1oc2ccc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3c(ccc5c3oc3ccccc35)C43c4ccccc4-n4c5ccccc5c5cccc3c54)cc2c1C.
What is the InChIKey of N-[2-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-fluoreno[4,3-b][1]benzofuran]-10'-amine?
The InChIKey is RAPKRKZCPWEBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N2O2/c1-39-40(2)68-61-36-29-43(37-51(39)61)46-17-6-10-23-57(46)66(44-30-27-42(28-31-44)41-15-4-3-5-16-41)45-32-34-53-52(38-45)62-55(35-33-50-48-19-8-13-26-60(48)69-64(50)62)65(53)54-21-9-12-25-59(54)67-58-24-11-7-18-47(58)49-20-14-22-56(65)63(49)67/h3-38H,1-2H3.
What are the key properties of N-[2-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-fluoreno[4,3-b][1]benzofuran]-10'-amine?
N-[2-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-fluoreno[4,3-b][1]benzofuran]-10'-amine has a molecular weight of 883.06 g/mol, XLogP of 17.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethyl-1-benzofuran-5-yl)phenyl]-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-fluoreno[4,3-b][1]benzofuran]-10'-amine is sourced from PubChem (CID 155061831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).