N-dibenzothiophen-4-yl-N-[2-(2-naphthalen-1-ylphenyl)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

C65H40N2S — CID 135166417

IUPACN-dibenzothiophen-4-yl-N-[2-(2-naphthalen-1-ylphenyl)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
SMILESc1ccc(-c2cccc3ccccc23)c(-c2ccccc2N(c2cccc3c2-c2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C65H40N2S/c1-2-21-42-41(19-1)20-15-28-43(42)44-22-3-4-23-45(44)46-24-6-11-35-56(46)66(60-39-17-30-50-48-26-8-14-40-61(48)68-64(50)60)59-38-18-33-54-62(59)51-27-5-9-31-52(51)65(54)53-32-10-13-37-58(53)67-57-36-12-7-25-47(57)49-29-16-34-55(65)63(49)67/h1-40H
InChIKeyLVZPTNSXIIOZQF-UHFFFAOYSA-N
MW881.12 g/mol
LogP17.79
Rot. Bonds5

About N-dibenzothiophen-4-yl-N-[2-(2-naphthalen-1-ylphenyl)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-dibenzothiophen-4-yl-N-[2-(2-naphthalen-1-ylphenyl)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 (PubChem CID 135166417) has the molecular formula C65H40N2S and a molecular weight of 881.12 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-[2-(2-naphthalen-1-ylphenyl)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.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-[2-(2-naphthalen-1-ylphenyl)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
PubChem CID135166417
Molecular FormulaC65H40N2S
Molecular Weight881.12 g/mol
Exact Mass880.29
IUPAC NameN-dibenzothiophen-4-yl-N-[2-(2-naphthalen-1-ylphenyl)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
SMILESc1ccc(-c2cccc3ccccc23)c(-c2ccccc2N(c2cccc3c2-c2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C65H40N2S/c1-2-21-42-41(19-1)20-15-28-43(42)44-22-3-4-23-45(44)46-24-6-11-35-56(46)66(60-39-17-30-50-48-26-8-14-40-61(48)68-64(50)60)59-38-18-33-54-62(59)51-27-5-9-31-52(51)65(54)53-32-10-13-37-58(53)67-57-36-12-7-25-47(57)49-29-16-34-55(65)63(49)67/h1-40H
InChIKeyLVZPTNSXIIOZQF-UHFFFAOYSA-N
XLogP17.79
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.12
LogP ≤ 517.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzothiophen-4-yl-N-[2-(2-naphthalen-1-ylphenyl)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 with MolForge

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Related Compounds

N-dibenzothiophen-4-yl-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]-4'-amine
CID 135166376
N-(2-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 172544718
N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-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 135166404
N-phenanthren-9-yl-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]-4'-amine
CID 135168193
N-naphthalen-1-yl-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)-9,9'-spirobi[fluorene]-4-amine
CID 135168843
N-(4-dibenzothiophen-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
CID 135166310
N-(4-dibenzothiophen-3-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]-4'-amine
CID 135166270
N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 172544666
N-(4-dibenzothiophen-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]-4'-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-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]-4'-amine
CID 158365514
(13R)-N-[2-(2-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 155296951
N-(4-naphthalen-1-ylphenyl)-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)-9,9'-spirobi[fluorene]-4-amine
CID 135168595
N-(9,9-diphenylfluoren-4-yl)-N-phenylspiro[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 135168297

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-[2-(2-naphthalen-1-ylphenyl)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?
The IUPAC name of N-dibenzothiophen-4-yl-N-[2-(2-naphthalen-1-ylphenyl)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 135166417) is N-dibenzothiophen-4-yl-N-[2-(2-naphthalen-1-ylphenyl)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.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-[2-(2-naphthalen-1-ylphenyl)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?
The canonical SMILES for N-dibenzothiophen-4-yl-N-[2-(2-naphthalen-1-ylphenyl)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 is c1ccc(-c2cccc3ccccc23)c(-c2ccccc2N(c2cccc3c2-c2ccccc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-[2-(2-naphthalen-1-ylphenyl)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?
The InChIKey is LVZPTNSXIIOZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40N2S/c1-2-21-42-41(19-1)20-15-28-43(42)44-22-3-4-23-45(44)46-24-6-11-35-56(46)66(60-39-17-30-50-48-26-8-14-40-61(48)68-64(50)60)59-38-18-33-54-62(59)51-27-5-9-31-52(51)65(54)53-32-10-13-37-58(53)67-57-36-12-7-25-47(57)49-29-16-34-55(65)63(49)67/h1-40H.
What are the key properties of N-dibenzothiophen-4-yl-N-[2-(2-naphthalen-1-ylphenyl)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-dibenzothiophen-4-yl-N-[2-(2-naphthalen-1-ylphenyl)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 has a molecular weight of 881.12 g/mol, XLogP of 17.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-[2-(2-naphthalen-1-ylphenyl)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 is sourced from PubChem (CID 135166417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).