7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)benzo[c]fluorene-5,9-diamine

C89H58N2O2 — CID 90139897

About 7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)benzo[c]fluorene-5,9-diamine

7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)benzo[c]fluorene-5,9-diamine (PubChem CID 90139897) has the molecular formula C89H58N2O2 and a molecular weight of 1187.45 g/mol. Its IUPAC name is 7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)benzo[c]fluorene-5,9-diamine.

Molecular Properties

• Compound Name: 7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)benzo[c]fluorene-5,9-diamine
• PubChem CID: 90139897
• Molecular Formula: C89H58N2O2
• Molecular Weight: 1187.45 g/mol
• Exact Mass: 1186.45
• IUPAC Name: 7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)benzo[c]fluorene-5,9-diamine
• SMILES: c1ccc(-c2ccccc2N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)c4ccccc4c2-3)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1
• InChI: InChI=1S/C89H58N2O2/c1-7-29-59(30-8-1)66-41-21-23-51-79(66)90(81-53-27-49-74-72-47-25-45-68(85(72)92-87(74)81)61-33-11-3-12-34-61)65-55-56-76-77(57-65)89(63-37-15-5-16-38-63,64-39-17-6-18-40-64)78-58-83(70-43-19-20-44-71(70)84(76)78)91(80-52-24-22-42-67(80)60-31-9-2-10-32-60)82-54-28-50-75-73-48-26-46-69(86(73)93-88(75)82)62-35-13-4-14-36-62/h1-58H
• InChIKey: NBIAPBZAJNFNFX-UHFFFAOYSA-N
• XLogP: 24.61
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1187.45
LogP ≤ 5	24.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)benzo[c]fluorene-5,9-diamine?

The IUPAC name of 7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)benzo[c]fluorene-5,9-diamine (CID 90139897) is 7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)benzo[c]fluorene-5,9-diamine.

What is the SMILES notation for 7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)benzo[c]fluorene-5,9-diamine?

The canonical SMILES for 7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)benzo[c]fluorene-5,9-diamine is c1ccc(-c2ccccc2N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)c4ccccc4c2-3)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1.

What is the InChIKey of 7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)benzo[c]fluorene-5,9-diamine?

The InChIKey is NBIAPBZAJNFNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H58N2O2/c1-7-29-59(30-8-1)66-41-21-23-51-79(66)90(81-53-27-49-74-72-47-25-45-68(85(72)92-87(74)81)61-33-11-3-12-34-61)65-55-56-76-77(57-65)89(63-37-15-5-16-38-63,64-39-17-6-18-40-64)78-58-83(70-43-19-20-44-71(70)84(76)78)91(80-52-24-22-42-67(80)60-31-9-2-10-32-60)82-54-28-50-75-73-48-26-46-69(86(73)93-88(75)82)62-35-13-4-14-36-62/h1-58H.

What are the key properties of 7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)benzo[c]fluorene-5,9-diamine?

7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)benzo[c]fluorene-5,9-diamine has a molecular weight of 1187.45 g/mol, XLogP of 24.61, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)benzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 90139897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).