2-[2-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-5-yl]-5-[5-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine

C88H124N6 — CID 58281706

IUPAC2-[2-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-5-yl]-5-[5-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3nc(CCC)c(-c4nc(CCC)c(-c5nc(CCC)c(-c6ccc7c(c6)C(CCCCCCCC)(CCCCCCCC)c6ccccc6-7)c(CCC)n5)c(CCC)n4)c(CCC)n3)cc21
InChIInChI=1S/C88H124N6/c1-11-21-25-29-33-41-59-87(60-42-34-30-26-22-12-2)71-53-39-37-51-67(71)69-57-55-65(63-73(69)87)81-75(45-15-5)91-85(92-76(81)46-16-6)83-79(49-19-9)93-86(94-80(83)50-20-10)82-77(47-17-7)89-84(90-78(82)48-18-8)66-56-58-70-68-52-38-40-54-72(68)88(74(70)64-66,61-43-35-31-27-23-13-3)62-44-36-32-28-24-14-4/h37-40,51-58,63-64H,11-36,41-50,59-62H2,1-10H3
InChIKeyMUEWZLKEJFNELT-UHFFFAOYSA-N
MW1266.00 g/mol
LogP25.98
Rot. Bonds44

About 2-[2-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-5-yl]-5-[5-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine

2-[2-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-5-yl]-5-[5-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine (PubChem CID 58281706) has the molecular formula C88H124N6 and a molecular weight of 1266.00 g/mol. Its IUPAC name is 2-[2-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-5-yl]-5-[5-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine.

Molecular Properties

Compound Name2-[2-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-5-yl]-5-[5-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine
PubChem CID58281706
Molecular FormulaC88H124N6
Molecular Weight1266.00 g/mol
Exact Mass1264.99
IUPAC Name2-[2-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-5-yl]-5-[5-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3nc(CCC)c(-c4nc(CCC)c(-c5nc(CCC)c(-c6ccc7c(c6)C(CCCCCCCC)(CCCCCCCC)c6ccccc6-7)c(CCC)n5)c(CCC)n4)c(CCC)n3)cc21
InChIInChI=1S/C88H124N6/c1-11-21-25-29-33-41-59-87(60-42-34-30-26-22-12-2)71-53-39-37-51-67(71)69-57-55-65(63-73(69)87)81-75(45-15-5)91-85(92-76(81)46-16-6)83-79(49-19-9)93-86(94-80(83)50-20-10)82-77(47-17-7)89-84(90-78(82)48-18-8)66-56-58-70-68-52-38-40-54-72(68)88(74(70)64-66,61-43-35-31-27-23-13-3)62-44-36-32-28-24-14-4/h37-40,51-58,63-64H,11-36,41-50,59-62H2,1-10H3
InChIKeyMUEWZLKEJFNELT-UHFFFAOYSA-N
XLogP25.98
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds44
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001266.00
LogP ≤ 525.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-5-yl]-5-[5-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-5-yl]-5-[5-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine?
The IUPAC name of 2-[2-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-5-yl]-5-[5-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine (CID 58281706) is 2-[2-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-5-yl]-5-[5-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine.
What is the SMILES notation for 2-[2-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-5-yl]-5-[5-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine?
The canonical SMILES for 2-[2-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-5-yl]-5-[5-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3nc(CCC)c(-c4nc(CCC)c(-c5nc(CCC)c(-c6ccc7c(c6)C(CCCCCCCC)(CCCCCCCC)c6ccccc6-7)c(CCC)n5)c(CCC)n4)c(CCC)n3)cc21.
What is the InChIKey of 2-[2-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-5-yl]-5-[5-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine?
The InChIKey is MUEWZLKEJFNELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H124N6/c1-11-21-25-29-33-41-59-87(60-42-34-30-26-22-12-2)71-53-39-37-51-67(71)69-57-55-65(63-73(69)87)81-75(45-15-5)91-85(92-76(81)46-16-6)83-79(49-19-9)93-86(94-80(83)50-20-10)82-77(47-17-7)89-84(90-78(82)48-18-8)66-56-58-70-68-52-38-40-54-72(68)88(74(70)64-66,61-43-35-31-27-23-13-3)62-44-36-32-28-24-14-4/h37-40,51-58,63-64H,11-36,41-50,59-62H2,1-10H3.
What are the key properties of 2-[2-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-5-yl]-5-[5-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine?
2-[2-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-5-yl]-5-[5-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine has a molecular weight of 1266.00 g/mol, XLogP of 25.98, 44 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-5-yl]-5-[5-(9,9-dioctylfluoren-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine is sourced from PubChem (CID 58281706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).