3-N-dibenzofuran-4-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine

C73H47N3O — CID 170690223

About 3-N-dibenzofuran-4-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine

3-N-dibenzofuran-4-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine (PubChem CID 170690223) has the molecular formula C73H47N3O and a molecular weight of 982.20 g/mol. Its IUPAC name is 3-N-dibenzofuran-4-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine.

Molecular Properties

• Compound Name: 3-N-dibenzofuran-4-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine
• PubChem CID: 170690223
• Molecular Formula: C73H47N3O
• Molecular Weight: 982.20 g/mol
• Exact Mass: 981.37
• IUPAC Name: 3-N-dibenzofuran-4-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine
• SMILES: c1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)c3c5c(ccc3n4-c3ccccc3)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)c2)cc1
• InChI: InChI=1S/C73H47N3O/c1-5-22-50(23-6-1)74(51-24-7-2-8-25-51)54-44-49(45-55(47-54)75(52-26-9-3-10-27-52)68-38-21-34-59-58-32-16-20-39-69(58)77-72(59)68)48-40-42-66-61(46-48)71-67(76(66)53-28-11-4-12-29-53)43-41-65-70(71)60-33-15-19-37-64(60)73(65)62-35-17-13-30-56(62)57-31-14-18-36-63(57)73/h1-47H
• InChIKey: SYYHGMUPRYAIOX-UHFFFAOYSA-N
• XLogP: 19.63
• TPSA: 24.55 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	982.20
LogP ≤ 5	19.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-4-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine?

The IUPAC name of 3-N-dibenzofuran-4-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine (CID 170690223) is 3-N-dibenzofuran-4-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine.

What is the SMILES notation for 3-N-dibenzofuran-4-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine?

The canonical SMILES for 3-N-dibenzofuran-4-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine is c1ccc(N(c2ccccc2)c2cc(-c3ccc4c(c3)c3c5c(ccc3n4-c3ccccc3)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)c2)cc1.

What is the InChIKey of 3-N-dibenzofuran-4-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine?

The InChIKey is SYYHGMUPRYAIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H47N3O/c1-5-22-50(23-6-1)74(51-24-7-2-8-25-51)54-44-49(45-55(47-54)75(52-26-9-3-10-27-52)68-38-21-34-59-58-32-16-20-39-69(58)77-72(59)68)48-40-42-66-61(46-48)71-67(76(66)53-28-11-4-12-29-53)43-41-65-70(71)60-33-15-19-37-64(60)73(65)62-35-17-13-30-56(62)57-31-14-18-36-63(57)73/h1-47H.

What are the key properties of 3-N-dibenzofuran-4-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine?

3-N-dibenzofuran-4-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine has a molecular weight of 982.20 g/mol, XLogP of 19.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-dibenzofuran-4-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine is sourced from PubChem (CID 170690223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).