N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine

C80H67FN2O2 — CID 155015359

IUPACN-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine
SMILESC=Cc1ccc(CCCC2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(F)cc5)cc4)c4ccc(-c5ccc6c(c5)c5cc(OCCCCCCOc7ccc(C=C)cc7)ccc5n6-c5ccccc5)cc4)cc32)cc1
InChIInChI=1S/C80H67FN2O2/c1-3-57-25-27-59(28-26-57)18-17-51-80(64-19-9-7-10-20-64)76-24-14-13-23-72(76)73-48-44-69(55-77(73)80)82(67-40-33-61(34-41-67)60-31-38-65(81)39-32-60)68-42-35-62(36-43-68)63-37-49-78-74(54-63)75-56-71(47-50-79(75)83(78)66-21-11-8-12-22-66)85-53-16-6-5-15-52-84-70-45-29-58(4-2)30-46-70/h3-4,7-14,19-50,54-56H,1-2,5-6,15-18,51-53H2
InChIKeyQQGPFCNXGGOFCK-UHFFFAOYSA-N
MW1107.43 g/mol
LogP21.37
Rot. Bonds22

About N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine

N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine (PubChem CID 155015359) has the molecular formula C80H67FN2O2 and a molecular weight of 1107.43 g/mol. Its IUPAC name is N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine
PubChem CID155015359
Molecular FormulaC80H67FN2O2
Molecular Weight1107.43 g/mol
Exact Mass1106.52
IUPAC NameN-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine
SMILESC=Cc1ccc(CCCC2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(F)cc5)cc4)c4ccc(-c5ccc6c(c5)c5cc(OCCCCCCOc7ccc(C=C)cc7)ccc5n6-c5ccccc5)cc4)cc32)cc1
InChIInChI=1S/C80H67FN2O2/c1-3-57-25-27-59(28-26-57)18-17-51-80(64-19-9-7-10-20-64)76-24-14-13-23-72(76)73-48-44-69(55-77(73)80)82(67-40-33-61(34-41-67)60-31-38-65(81)39-32-60)68-42-35-62(36-43-68)63-37-49-78-74(54-63)75-56-71(47-50-79(75)83(78)66-21-11-8-12-22-66)85-53-16-6-5-15-52-84-70-45-29-58(4-2)30-46-70/h3-4,7-14,19-50,54-56H,1-2,5-6,15-18,51-53H2
InChIKeyQQGPFCNXGGOFCK-UHFFFAOYSA-N
XLogP21.37
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001107.43
LogP ≤ 521.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine?
The IUPAC name of N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine (CID 155015359) is N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine?
The canonical SMILES for N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine is C=Cc1ccc(CCCC2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(F)cc5)cc4)c4ccc(-c5ccc6c(c5)c5cc(OCCCCCCOc7ccc(C=C)cc7)ccc5n6-c5ccccc5)cc4)cc32)cc1.
What is the InChIKey of N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine?
The InChIKey is QQGPFCNXGGOFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H67FN2O2/c1-3-57-25-27-59(28-26-57)18-17-51-80(64-19-9-7-10-20-64)76-24-14-13-23-72(76)73-48-44-69(55-77(73)80)82(67-40-33-61(34-41-67)60-31-38-65(81)39-32-60)68-42-35-62(36-43-68)63-37-49-78-74(54-63)75-56-71(47-50-79(75)83(78)66-21-11-8-12-22-66)85-53-16-6-5-15-52-84-70-45-29-58(4-2)30-46-70/h3-4,7-14,19-50,54-56H,1-2,5-6,15-18,51-53H2.
What are the key properties of N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine?
N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine has a molecular weight of 1107.43 g/mol, XLogP of 21.37, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N-[4-(4-fluorophenyl)phenyl]-9-phenylfluoren-2-amine is sourced from PubChem (CID 155015359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).