8-[2-[7-[6-[5-[9,9-dimethyl-7-(4-quinolin-8-ylpyrimidin-2-yl)fluoren-2-yl]-2-pyridinyl]-3-pyridinyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]quinoline

C66H46N8 — CID 58881220

IUPAC8-[2-[7-[6-[5-[9,9-dimethyl-7-(4-quinolin-8-ylpyrimidin-2-yl)fluoren-2-yl]-2-pyridinyl]-3-pyridinyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]quinoline
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7nccc(-c8cccc9cccnc89)n7)ccc5-6)cn4)nc3)ccc2-c2ccc(-c3nccc(-c4cccc5cccnc45)n3)cc21
InChIInChI=1S/C66H46N8/c1-65(2)53-33-41(15-21-47(53)49-23-17-43(35-55(49)65)63-69-31-27-57(73-63)51-13-5-9-39-11-7-29-67-61(39)51)45-19-25-59(71-37-45)60-26-20-46(38-72-60)42-16-22-48-50-24-18-44(36-56(50)66(3,4)54(48)34-42)64-70-32-28-58(74-64)52-14-6-10-40-12-8-30-68-62(40)52/h5-38H,1-4H3
InChIKeyAMEBVKVVNUSHIM-UHFFFAOYSA-N
MW951.15 g/mol
LogP15.43
Rot. Bonds7

About 8-[2-[7-[6-[5-[9,9-dimethyl-7-(4-quinolin-8-ylpyrimidin-2-yl)fluoren-2-yl]-2-pyridinyl]-3-pyridinyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]quinoline

8-[2-[7-[6-[5-[9,9-dimethyl-7-(4-quinolin-8-ylpyrimidin-2-yl)fluoren-2-yl]-2-pyridinyl]-3-pyridinyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]quinoline (PubChem CID 58881220) has the molecular formula C66H46N8 and a molecular weight of 951.15 g/mol. Its IUPAC name is 8-[2-[7-[6-[5-[9,9-dimethyl-7-(4-quinolin-8-ylpyrimidin-2-yl)fluoren-2-yl]-2-pyridinyl]-3-pyridinyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]quinoline.

Molecular Properties

Compound Name8-[2-[7-[6-[5-[9,9-dimethyl-7-(4-quinolin-8-ylpyrimidin-2-yl)fluoren-2-yl]-2-pyridinyl]-3-pyridinyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]quinoline
PubChem CID58881220
Molecular FormulaC66H46N8
Molecular Weight951.15 g/mol
Exact Mass950.38
IUPAC Name8-[2-[7-[6-[5-[9,9-dimethyl-7-(4-quinolin-8-ylpyrimidin-2-yl)fluoren-2-yl]-2-pyridinyl]-3-pyridinyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]quinoline
SMILESCC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7nccc(-c8cccc9cccnc89)n7)ccc5-6)cn4)nc3)ccc2-c2ccc(-c3nccc(-c4cccc5cccnc45)n3)cc21
InChIInChI=1S/C66H46N8/c1-65(2)53-33-41(15-21-47(53)49-23-17-43(35-55(49)65)63-69-31-27-57(73-63)51-13-5-9-39-11-7-29-67-61(39)51)45-19-25-59(71-37-45)60-26-20-46(38-72-60)42-16-22-48-50-24-18-44(36-56(50)66(3,4)54(48)34-42)64-70-32-28-58(74-64)52-14-6-10-40-12-8-30-68-62(40)52/h5-38H,1-4H3
InChIKeyAMEBVKVVNUSHIM-UHFFFAOYSA-N
XLogP15.43
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.15
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[2-[7-[6-[5-[9,9-dimethyl-7-(4-quinolin-8-ylpyrimidin-2-yl)fluoren-2-yl]-2-pyridinyl]-3-pyridinyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[7-[6-[5-[9,9-dimethyl-7-(4-quinolin-8-ylpyrimidin-2-yl)fluoren-2-yl]-2-pyridinyl]-3-pyridinyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]quinoline?
The IUPAC name of 8-[2-[7-[6-[5-[9,9-dimethyl-7-(4-quinolin-8-ylpyrimidin-2-yl)fluoren-2-yl]-2-pyridinyl]-3-pyridinyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]quinoline (CID 58881220) is 8-[2-[7-[6-[5-[9,9-dimethyl-7-(4-quinolin-8-ylpyrimidin-2-yl)fluoren-2-yl]-2-pyridinyl]-3-pyridinyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]quinoline.
What is the SMILES notation for 8-[2-[7-[6-[5-[9,9-dimethyl-7-(4-quinolin-8-ylpyrimidin-2-yl)fluoren-2-yl]-2-pyridinyl]-3-pyridinyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]quinoline?
The canonical SMILES for 8-[2-[7-[6-[5-[9,9-dimethyl-7-(4-quinolin-8-ylpyrimidin-2-yl)fluoren-2-yl]-2-pyridinyl]-3-pyridinyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]quinoline is CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7nccc(-c8cccc9cccnc89)n7)ccc5-6)cn4)nc3)ccc2-c2ccc(-c3nccc(-c4cccc5cccnc45)n3)cc21.
What is the InChIKey of 8-[2-[7-[6-[5-[9,9-dimethyl-7-(4-quinolin-8-ylpyrimidin-2-yl)fluoren-2-yl]-2-pyridinyl]-3-pyridinyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]quinoline?
The InChIKey is AMEBVKVVNUSHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N8/c1-65(2)53-33-41(15-21-47(53)49-23-17-43(35-55(49)65)63-69-31-27-57(73-63)51-13-5-9-39-11-7-29-67-61(39)51)45-19-25-59(71-37-45)60-26-20-46(38-72-60)42-16-22-48-50-24-18-44(36-56(50)66(3,4)54(48)34-42)64-70-32-28-58(74-64)52-14-6-10-40-12-8-30-68-62(40)52/h5-38H,1-4H3.
What are the key properties of 8-[2-[7-[6-[5-[9,9-dimethyl-7-(4-quinolin-8-ylpyrimidin-2-yl)fluoren-2-yl]-2-pyridinyl]-3-pyridinyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]quinoline?
8-[2-[7-[6-[5-[9,9-dimethyl-7-(4-quinolin-8-ylpyrimidin-2-yl)fluoren-2-yl]-2-pyridinyl]-3-pyridinyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]quinoline has a molecular weight of 951.15 g/mol, XLogP of 15.43, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[7-[6-[5-[9,9-dimethyl-7-(4-quinolin-8-ylpyrimidin-2-yl)fluoren-2-yl]-2-pyridinyl]-3-pyridinyl]-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]quinoline is sourced from PubChem (CID 58881220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).