N-(4-dibenzofuran-2-ylphenyl)-N-[2-(2-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]-10-amine;N-(9,9-diphenylfluoren-4-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]-10-amine;N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-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]-10-amine

C215H136N6O — CID 159358566

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-[2-(2-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]-10-amine;N-(9,9-diphenylfluoren-4-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]-10-amine;N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-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]-10-amine
SMILESc1ccc(-c2cccc(-c3ccccc3N(c3cc4c5c(c3)c3ccccc3n5-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3N(c3cc4c5c(c3)c3ccccc3n5-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2cc3c4c(c2)c2ccccc2n4-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C74H46N2.C74H48N2.C67H42N2O/c1-2-22-47(23-3-1)48-24-20-25-49(44-48)51-26-9-17-40-67(51)75(70-43-21-39-65-71(70)57-32-8-15-37-63(57)73(65)59-33-11-4-27-52(59)53-28-5-12-34-60(53)73)50-45-58-56-31-10-18-41-68(56)76-69-42-19-16-38-64(69)74(66(46-50)72(58)76)61-35-13-6-29-54(61)55-30-7-14-36-62(55)74;1-4-24-49(25-5-1)50-26-22-27-51(46-50)55-32-13-19-42-67(55)75(70-45-23-41-65-71(70)59-36-12-17-39-63(59)73(65,52-28-6-2-7-29-52)53-30-8-3-9-31-53)54-47-60-58-35-14-20-43-68(58)76-69-44-21-18-40-64(69)74(66(48-54)72(60)76)61-37-15-10-33-56(61)57-34-11-16-38-62(57)74;1-2-18-44(19-3-1)48-20-4-5-21-49(48)52-24-8-14-30-61(52)68(46-37-34-43(35-38-46)45-36-39-65-55(40-45)54-26-10-17-33-64(54)70-65)47-41-56-53-25-9-15-31-62(53)69-63-32-16-13-29-59(63)67(60(42-47)66(56)69)57-27-11-6-22-50(57)51-23-7-12-28-58(51)67/h1-46H;1-48H;1-42H
InChIKeyLIFWCGFHAUAMIK-UHFFFAOYSA-N
MW2819.49 g/mol
LogP55.06
Rot. Bonds18

About N-(4-dibenzofuran-2-ylphenyl)-N-[2-(2-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]-10-amine;N-(9,9-diphenylfluoren-4-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]-10-amine;N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-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]-10-amine

N-(4-dibenzofuran-2-ylphenyl)-N-[2-(2-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]-10-amine;N-(9,9-diphenylfluoren-4-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]-10-amine;N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-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]-10-amine (PubChem CID 159358566) has the molecular formula C215H136N6O and a molecular weight of 2819.49 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-[2-(2-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]-10-amine;N-(9,9-diphenylfluoren-4-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]-10-amine;N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-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]-10-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-[2-(2-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]-10-amine;N-(9,9-diphenylfluoren-4-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]-10-amine;N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-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]-10-amine
PubChem CID159358566
Molecular FormulaC215H136N6O
Molecular Weight2819.49 g/mol
Exact Mass2817.08
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-[2-(2-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]-10-amine;N-(9,9-diphenylfluoren-4-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]-10-amine;N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-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]-10-amine
SMILESc1ccc(-c2cccc(-c3ccccc3N(c3cc4c5c(c3)c3ccccc3n5-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3N(c3cc4c5c(c3)c3ccccc3n5-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2cc3c4c(c2)c2ccccc2n4-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C74H46N2.C74H48N2.C67H42N2O/c1-2-22-47(23-3-1)48-24-20-25-49(44-48)51-26-9-17-40-67(51)75(70-43-21-39-65-71(70)57-32-8-15-37-63(57)73(65)59-33-11-4-27-52(59)53-28-5-12-34-60(53)73)50-45-58-56-31-10-18-41-68(56)76-69-42-19-16-38-64(69)74(66(46-50)72(58)76)61-35-13-6-29-54(61)55-30-7-14-36-62(55)74;1-4-24-49(25-5-1)50-26-22-27-51(46-50)55-32-13-19-42-67(55)75(70-45-23-41-65-71(70)59-36-12-17-39-63(59)73(65,52-28-6-2-7-29-52)53-30-8-3-9-31-53)54-47-60-58-35-14-20-43-68(58)76-69-44-21-18-40-64(69)74(66(48-54)72(60)76)61-37-15-10-33-56(61)57-34-11-16-38-62(57)74;1-2-18-44(19-3-1)48-20-4-5-21-49(48)52-24-8-14-30-61(52)68(46-37-34-43(35-38-46)45-36-39-65-55(40-45)54-26-10-17-33-64(54)70-65)47-41-56-53-25-9-15-31-62(53)69-63-32-16-13-29-59(63)67(60(42-47)66(56)69)57-27-11-6-22-50(57)51-23-7-12-28-58(51)67/h1-46H;1-48H;1-42H
InChIKeyLIFWCGFHAUAMIK-UHFFFAOYSA-N
XLogP55.06
TPSA37.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms222
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002819.49
LogP ≤ 555.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(4-dibenzofuran-2-ylphenyl)-N-[2-(2-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]-10-amine;N-(9,9-diphenylfluoren-4-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]-10-amine;N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-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]-10-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[2-(2-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]-10-amine;N-(9,9-diphenylfluoren-4-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]-10-amine;N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-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]-10-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[2-(2-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]-10-amine;N-(9,9-diphenylfluoren-4-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]-10-amine;N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-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]-10-amine (CID 159358566) is N-(4-dibenzofuran-2-ylphenyl)-N-[2-(2-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]-10-amine;N-(9,9-diphenylfluoren-4-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]-10-amine;N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-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]-10-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-[2-(2-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]-10-amine;N-(9,9-diphenylfluoren-4-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]-10-amine;N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-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]-10-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-[2-(2-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]-10-amine;N-(9,9-diphenylfluoren-4-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]-10-amine;N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-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]-10-amine is c1ccc(-c2cccc(-c3ccccc3N(c3cc4c5c(c3)c3ccccc3n5-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3N(c3cc4c5c(c3)c3ccccc3n5-c3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c2cc3c4c(c2)c2ccccc2n4-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-[2-(2-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]-10-amine;N-(9,9-diphenylfluoren-4-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]-10-amine;N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-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]-10-amine?
The InChIKey is LIFWCGFHAUAMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H46N2.C74H48N2.C67H42N2O/c1-2-22-47(23-3-1)48-24-20-25-49(44-48)51-26-9-17-40-67(51)75(70-43-21-39-65-71(70)57-32-8-15-37-63(57)73(65)59-33-11-4-27-52(59)53-28-5-12-34-60(53)73)50-45-58-56-31-10-18-41-68(56)76-69-42-19-16-38-64(69)74(66(46-50)72(58)76)61-35-13-6-29-54(61)55-30-7-14-36-62(55)74;1-4-24-49(25-5-1)50-26-22-27-51(46-50)55-32-13-19-42-67(55)75(70-45-23-41-65-71(70)59-36-12-17-39-63(59)73(65,52-28-6-2-7-29-52)53-30-8-3-9-31-53)54-47-60-58-35-14-20-43-68(58)76-69-44-21-18-40-64(69)74(66(48-54)72(60)76)61-37-15-10-33-56(61)57-34-11-16-38-62(57)74;1-2-18-44(19-3-1)48-20-4-5-21-49(48)52-24-8-14-30-61(52)68(46-37-34-43(35-38-46)45-36-39-65-55(40-45)54-26-10-17-33-64(54)70-65)47-41-56-53-25-9-15-31-62(53)69-63-32-16-13-29-59(63)67(60(42-47)66(56)69)57-27-11-6-22-50(57)51-23-7-12-28-58(51)67/h1-46H;1-48H;1-42H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-[2-(2-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]-10-amine;N-(9,9-diphenylfluoren-4-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]-10-amine;N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-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]-10-amine?
N-(4-dibenzofuran-2-ylphenyl)-N-[2-(2-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]-10-amine;N-(9,9-diphenylfluoren-4-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]-10-amine;N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-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]-10-amine has a molecular weight of 2819.49 g/mol, XLogP of 55.06, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-N-[2-(2-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]-10-amine;N-(9,9-diphenylfluoren-4-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]-10-amine;N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-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]-10-amine is sourced from PubChem (CID 159358566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).