9,9-bis(2-ethylhexyl)-N,N-diphenyl-7-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]fluoren-2-amine

C56H60N4 — CID 67290137

IUPAC9,9-bis(2-ethylhexyl)-N,N-diphenyl-7-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]fluoren-2-amine
SMILESCCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccnc(-c4cccc(-c5ccccn5)n4)c3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C56H60N4/c1-5-9-20-41(7-3)39-56(40-42(8-4)21-10-6-2)50-36-43(44-33-35-58-55(37-44)54-28-19-27-53(59-54)52-26-17-18-34-57-52)29-31-48(50)49-32-30-47(38-51(49)56)60(45-22-13-11-14-23-45)46-24-15-12-16-25-46/h11-19,22-38,41-42H,5-10,20-21,39-40H2,1-4H3
InChIKeyVXUSUNIFMWGEFO-UHFFFAOYSA-N
MW789.12 g/mol
LogP15.82
Rot. Bonds18

About 9,9-bis(2-ethylhexyl)-N,N-diphenyl-7-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]fluoren-2-amine

9,9-bis(2-ethylhexyl)-N,N-diphenyl-7-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]fluoren-2-amine (PubChem CID 67290137) has the molecular formula C56H60N4 and a molecular weight of 789.12 g/mol. Its IUPAC name is 9,9-bis(2-ethylhexyl)-N,N-diphenyl-7-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-bis(2-ethylhexyl)-N,N-diphenyl-7-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]fluoren-2-amine
PubChem CID67290137
Molecular FormulaC56H60N4
Molecular Weight789.12 g/mol
Exact Mass788.48
IUPAC Name9,9-bis(2-ethylhexyl)-N,N-diphenyl-7-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]fluoren-2-amine
SMILESCCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccnc(-c4cccc(-c5ccccn5)n4)c3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C56H60N4/c1-5-9-20-41(7-3)39-56(40-42(8-4)21-10-6-2)50-36-43(44-33-35-58-55(37-44)54-28-19-27-53(59-54)52-26-17-18-34-57-52)29-31-48(50)49-32-30-47(38-51(49)56)60(45-22-13-11-14-23-45)46-24-15-12-16-25-46/h11-19,22-38,41-42H,5-10,20-21,39-40H2,1-4H3
InChIKeyVXUSUNIFMWGEFO-UHFFFAOYSA-N
XLogP15.82
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.12
LogP ≤ 515.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9,9-bis(2-ethylhexyl)-N,N-diphenyl-7-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]fluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,9-bis(2-ethylhexyl)-N,N-diphenyl-7-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]fluoren-2-amine?
The IUPAC name of 9,9-bis(2-ethylhexyl)-N,N-diphenyl-7-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]fluoren-2-amine (CID 67290137) is 9,9-bis(2-ethylhexyl)-N,N-diphenyl-7-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]fluoren-2-amine.
What is the SMILES notation for 9,9-bis(2-ethylhexyl)-N,N-diphenyl-7-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]fluoren-2-amine?
The canonical SMILES for 9,9-bis(2-ethylhexyl)-N,N-diphenyl-7-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]fluoren-2-amine is CCCCC(CC)CC1(CC(CC)CCCC)c2cc(-c3ccnc(-c4cccc(-c5ccccn5)n4)c3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 9,9-bis(2-ethylhexyl)-N,N-diphenyl-7-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]fluoren-2-amine?
The InChIKey is VXUSUNIFMWGEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H60N4/c1-5-9-20-41(7-3)39-56(40-42(8-4)21-10-6-2)50-36-43(44-33-35-58-55(37-44)54-28-19-27-53(59-54)52-26-17-18-34-57-52)29-31-48(50)49-32-30-47(38-51(49)56)60(45-22-13-11-14-23-45)46-24-15-12-16-25-46/h11-19,22-38,41-42H,5-10,20-21,39-40H2,1-4H3.
What are the key properties of 9,9-bis(2-ethylhexyl)-N,N-diphenyl-7-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]fluoren-2-amine?
9,9-bis(2-ethylhexyl)-N,N-diphenyl-7-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]fluoren-2-amine has a molecular weight of 789.12 g/mol, XLogP of 15.82, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(2-ethylhexyl)-N,N-diphenyl-7-[2-(6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]fluoren-2-amine is sourced from PubChem (CID 67290137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).