2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrapyridin-4-yl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine

C73H56N8O4 — CID 135219181

IUPAC2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrapyridin-4-yl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
SMILESCOc1ccc(N(c2ccncc2)c2ccc3c(c2)C2(c4cc(N(c5ccncc5)c5ccc(OC)cc5)ccc4-3)c3cc(N(c4ccncc4)c4ccc(OC)cc4)ccc3-c3ccc(N(c4ccncc4)c4ccc(OC)cc4)cc32)cc1
InChIInChI=1S/C73H56N8O4/c1-82-61-17-5-49(6-18-61)78(53-29-37-74-38-30-53)57-13-25-65-66-26-14-58(79(54-31-39-75-40-32-54)50-7-19-62(83-2)20-8-50)46-70(66)73(69(65)45-57)71-47-59(80(55-33-41-76-42-34-55)51-9-21-63(84-3)22-10-51)15-27-67(71)68-28-16-60(48-72(68)73)81(56-35-43-77-44-36-56)52-11-23-64(85-4)24-12-52/h5-48H,1-4H3
InChIKeyAVTZHRXUCFTLBR-UHFFFAOYSA-N
MW1109.30 g/mol
LogP17.52
Rot. Bonds16

About 2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrapyridin-4-yl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine

2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrapyridin-4-yl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (PubChem CID 135219181) has the molecular formula C73H56N8O4 and a molecular weight of 1109.30 g/mol. Its IUPAC name is 2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrapyridin-4-yl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine.

Molecular Properties

Compound Name2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrapyridin-4-yl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
PubChem CID135219181
Molecular FormulaC73H56N8O4
Molecular Weight1109.30 g/mol
Exact Mass1108.44
IUPAC Name2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrapyridin-4-yl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
SMILESCOc1ccc(N(c2ccncc2)c2ccc3c(c2)C2(c4cc(N(c5ccncc5)c5ccc(OC)cc5)ccc4-3)c3cc(N(c4ccncc4)c4ccc(OC)cc4)ccc3-c3ccc(N(c4ccncc4)c4ccc(OC)cc4)cc32)cc1
InChIInChI=1S/C73H56N8O4/c1-82-61-17-5-49(6-18-61)78(53-29-37-74-38-30-53)57-13-25-65-66-26-14-58(79(54-31-39-75-40-32-54)50-7-19-62(83-2)20-8-50)46-70(66)73(69(65)45-57)71-47-59(80(55-33-41-76-42-34-55)51-9-21-63(84-3)22-10-51)15-27-67(71)68-28-16-60(48-72(68)73)81(56-35-43-77-44-36-56)52-11-23-64(85-4)24-12-52/h5-48H,1-4H3
InChIKeyAVTZHRXUCFTLBR-UHFFFAOYSA-N
XLogP17.52
TPSA101.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001109.30
LogP ≤ 517.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrapyridin-4-yl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrapyridin-4-yl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The IUPAC name of 2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrapyridin-4-yl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (CID 135219181) is 2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrapyridin-4-yl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine.
What is the SMILES notation for 2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrapyridin-4-yl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The canonical SMILES for 2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrapyridin-4-yl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine is COc1ccc(N(c2ccncc2)c2ccc3c(c2)C2(c4cc(N(c5ccncc5)c5ccc(OC)cc5)ccc4-3)c3cc(N(c4ccncc4)c4ccc(OC)cc4)ccc3-c3ccc(N(c4ccncc4)c4ccc(OC)cc4)cc32)cc1.
What is the InChIKey of 2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrapyridin-4-yl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The InChIKey is AVTZHRXUCFTLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H56N8O4/c1-82-61-17-5-49(6-18-61)78(53-29-37-74-38-30-53)57-13-25-65-66-26-14-58(79(54-31-39-75-40-32-54)50-7-19-62(83-2)20-8-50)46-70(66)73(69(65)45-57)71-47-59(80(55-33-41-76-42-34-55)51-9-21-63(84-3)22-10-51)15-27-67(71)68-28-16-60(48-72(68)73)81(56-35-43-77-44-36-56)52-11-23-64(85-4)24-12-52/h5-48H,1-4H3.
What are the key properties of 2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrapyridin-4-yl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrapyridin-4-yl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine has a molecular weight of 1109.30 g/mol, XLogP of 17.52, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrapyridin-4-yl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine is sourced from PubChem (CID 135219181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).