(1-butylcyclopentyl) 4-[[4-[2-[9-[4-[4-(1-butylcyclopentyl)oxycarbonyloxybutoxymethyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]methoxy]butyl carbonate

C66H76N2O8 — CID 146213668

IUPAC(1-butylcyclopentyl) 4-[[4-[2-[9-[4-[4-(1-butylcyclopentyl)oxycarbonyloxybutoxymethyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]methoxy]butyl carbonate
SMILESCCCCC1(OC(=O)OCCCCOCc2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc(COCCCCOC(=O)OC8(CCCC)CCCC8)cc7)c6c5)ccc43)cc2)CCCC1
InChIInChI=1S/C66H76N2O8/c1-3-5-35-65(37-11-12-38-65)75-63(69)73-43-17-15-41-71-47-49-23-29-53(30-24-49)67-60-22-10-8-20-56(60)58-45-51(28-34-61(58)67)52-27-33-57-55-19-7-9-21-59(55)68(62(57)46-52)54-31-25-50(26-32-54)48-72-42-16-18-44-74-64(70)76-66(36-6-4-2)39-13-14-40-66/h7-10,19-34,45-46H,3-6,11-18,35-44,47-48H2,1-2H3
InChIKeyYNAIQUFPFOMZRL-UHFFFAOYSA-N
MW1025.34 g/mol
LogP17.45
Rot. Bonds25

About (1-butylcyclopentyl) 4-[[4-[2-[9-[4-[4-(1-butylcyclopentyl)oxycarbonyloxybutoxymethyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]methoxy]butyl carbonate

(1-butylcyclopentyl) 4-[[4-[2-[9-[4-[4-(1-butylcyclopentyl)oxycarbonyloxybutoxymethyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]methoxy]butyl carbonate (PubChem CID 146213668) has the molecular formula C66H76N2O8 and a molecular weight of 1025.34 g/mol. Its IUPAC name is (1-butylcyclopentyl) 4-[[4-[2-[9-[4-[4-(1-butylcyclopentyl)oxycarbonyloxybutoxymethyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]methoxy]butyl carbonate.

Molecular Properties

Compound Name(1-butylcyclopentyl) 4-[[4-[2-[9-[4-[4-(1-butylcyclopentyl)oxycarbonyloxybutoxymethyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]methoxy]butyl carbonate
PubChem CID146213668
Molecular FormulaC66H76N2O8
Molecular Weight1025.34 g/mol
Exact Mass1024.56
IUPAC Name(1-butylcyclopentyl) 4-[[4-[2-[9-[4-[4-(1-butylcyclopentyl)oxycarbonyloxybutoxymethyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]methoxy]butyl carbonate
SMILESCCCCC1(OC(=O)OCCCCOCc2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc(COCCCCOC(=O)OC8(CCCC)CCCC8)cc7)c6c5)ccc43)cc2)CCCC1
InChIInChI=1S/C66H76N2O8/c1-3-5-35-65(37-11-12-38-65)75-63(69)73-43-17-15-41-71-47-49-23-29-53(30-24-49)67-60-22-10-8-20-56(60)58-45-51(28-34-61(58)67)52-27-33-57-55-19-7-9-21-59(55)68(62(57)46-52)54-31-25-50(26-32-54)48-72-42-16-18-44-74-64(70)76-66(36-6-4-2)39-13-14-40-66/h7-10,19-34,45-46H,3-6,11-18,35-44,47-48H2,1-2H3
InChIKeyYNAIQUFPFOMZRL-UHFFFAOYSA-N
XLogP17.45
TPSA99.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.34
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-butylcyclopentyl) 4-[[4-[2-[9-[4-[4-(1-butylcyclopentyl)oxycarbonyloxybutoxymethyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]methoxy]butyl carbonate?
The IUPAC name of (1-butylcyclopentyl) 4-[[4-[2-[9-[4-[4-(1-butylcyclopentyl)oxycarbonyloxybutoxymethyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]methoxy]butyl carbonate (CID 146213668) is (1-butylcyclopentyl) 4-[[4-[2-[9-[4-[4-(1-butylcyclopentyl)oxycarbonyloxybutoxymethyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]methoxy]butyl carbonate.
What is the SMILES notation for (1-butylcyclopentyl) 4-[[4-[2-[9-[4-[4-(1-butylcyclopentyl)oxycarbonyloxybutoxymethyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]methoxy]butyl carbonate?
The canonical SMILES for (1-butylcyclopentyl) 4-[[4-[2-[9-[4-[4-(1-butylcyclopentyl)oxycarbonyloxybutoxymethyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]methoxy]butyl carbonate is CCCCC1(OC(=O)OCCCCOCc2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc(COCCCCOC(=O)OC8(CCCC)CCCC8)cc7)c6c5)ccc43)cc2)CCCC1.
What is the InChIKey of (1-butylcyclopentyl) 4-[[4-[2-[9-[4-[4-(1-butylcyclopentyl)oxycarbonyloxybutoxymethyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]methoxy]butyl carbonate?
The InChIKey is YNAIQUFPFOMZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H76N2O8/c1-3-5-35-65(37-11-12-38-65)75-63(69)73-43-17-15-41-71-47-49-23-29-53(30-24-49)67-60-22-10-8-20-56(60)58-45-51(28-34-61(58)67)52-27-33-57-55-19-7-9-21-59(55)68(62(57)46-52)54-31-25-50(26-32-54)48-72-42-16-18-44-74-64(70)76-66(36-6-4-2)39-13-14-40-66/h7-10,19-34,45-46H,3-6,11-18,35-44,47-48H2,1-2H3.
What are the key properties of (1-butylcyclopentyl) 4-[[4-[2-[9-[4-[4-(1-butylcyclopentyl)oxycarbonyloxybutoxymethyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]methoxy]butyl carbonate?
(1-butylcyclopentyl) 4-[[4-[2-[9-[4-[4-(1-butylcyclopentyl)oxycarbonyloxybutoxymethyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]methoxy]butyl carbonate has a molecular weight of 1025.34 g/mol, XLogP of 17.45, 25 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylcyclopentyl) 4-[[4-[2-[9-[4-[4-(1-butylcyclopentyl)oxycarbonyloxybutoxymethyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]methoxy]butyl carbonate is sourced from PubChem (CID 146213668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).