N-(4-dibenzofuran-1-ylphenyl)-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzothiophen-3-amine

C69H44N2OS — CID 164799529

About N-(4-dibenzofuran-1-ylphenyl)-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzothiophen-3-amine

N-(4-dibenzofuran-1-ylphenyl)-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzothiophen-3-amine (PubChem CID 164799529) has the molecular formula C69H44N2OS and a molecular weight of 949.19 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-1-ylphenyl)-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzothiophen-3-amine
• PubChem CID: 164799529
• Molecular Formula: C69H44N2OS
• Molecular Weight: 949.19 g/mol
• Exact Mass: 948.32
• IUPAC Name: N-(4-dibenzofuran-1-ylphenyl)-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzothiophen-3-amine
• SMILES: Cc1ccc2c(c1)c1cc(C)cc3c1n2-c1ccc(-c2ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc5c(c4)sc4ccccc45)cc2)cc1C31c2ccccc2-c2ccccc21
• InChI: InChI=1S/C69H44N2OS/c1-41-22-34-61-55(36-41)56-37-42(2)38-60-68(56)71(61)62-35-27-45(39-59(62)69(60)57-17-7-3-12-50(57)51-13-4-8-18-58(51)69)43-23-28-46(29-24-43)70(48-32-33-53-52-14-6-10-21-65(52)73-66(53)40-48)47-30-25-44(26-31-47)49-16-11-20-64-67(49)54-15-5-9-19-63(54)72-64/h3-40H,1-2H3
• InChIKey: YBJANGXAYQPUIL-UHFFFAOYSA-N
• XLogP: 19.15
• TPSA: 21.31 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.19
LogP ≤ 5	19.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzothiophen-3-amine?

The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzothiophen-3-amine (CID 164799529) is N-(4-dibenzofuran-1-ylphenyl)-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzothiophen-3-amine.

What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzothiophen-3-amine?

The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzothiophen-3-amine is Cc1ccc2c(c1)c1cc(C)cc3c1n2-c1ccc(-c2ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc5c(c4)sc4ccccc45)cc2)cc1C31c2ccccc2-c2ccccc21.

What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzothiophen-3-amine?

The InChIKey is YBJANGXAYQPUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N2OS/c1-41-22-34-61-55(36-41)56-37-42(2)38-60-68(56)71(61)62-35-27-45(39-59(62)69(60)57-17-7-3-12-50(57)51-13-4-8-18-58(51)69)43-23-28-46(29-24-43)70(48-32-33-53-52-14-6-10-21-65(52)73-66(53)40-48)47-30-25-44(26-31-47)49-16-11-20-64-67(49)54-15-5-9-19-63(54)72-64/h3-40H,1-2H3.

What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzothiophen-3-amine?

N-(4-dibenzofuran-1-ylphenyl)-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzothiophen-3-amine has a molecular weight of 949.19 g/mol, XLogP of 19.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-1-ylphenyl)-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 164799529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).