9-[4-(3-ethenylcyclohexa-1,3-dien-1-yl)butyl]-9-[4-(3-ethenylphenyl)butyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine

C69H62N2 — CID 123336841

IUPAC9-[4-(3-ethenylcyclohexa-1,3-dien-1-yl)butyl]-9-[4-(3-ethenylphenyl)butyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESC=CC1=CCCC(CCCCC2(CCCCc3cccc(C=C)c3)c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc3-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc32)=C1
InChIInChI=1S/C69H62N2/c1-3-51-25-19-27-53(47-51)23-15-17-45-69(46-18-16-24-54-28-20-26-52(4-2)48-54)65-49-59(70(57-33-7-5-8-34-57)67-39-21-31-55-29-11-13-37-61(55)67)41-43-63(65)64-44-42-60(50-66(64)69)71(58-35-9-6-10-36-58)68-40-22-32-56-30-12-14-38-62(56)68/h3-14,19,21-22,25-27,29-44,47-50H,1-2,15-18,20,23-24,28,45-46H2
InChIKeyMTZKTHFGFCEVAN-UHFFFAOYSA-N
MW919.27 g/mol
LogP19.65
Rot. Bonds18

About 9-[4-(3-ethenylcyclohexa-1,3-dien-1-yl)butyl]-9-[4-(3-ethenylphenyl)butyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine

9-[4-(3-ethenylcyclohexa-1,3-dien-1-yl)butyl]-9-[4-(3-ethenylphenyl)butyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine (PubChem CID 123336841) has the molecular formula C69H62N2 and a molecular weight of 919.27 g/mol. Its IUPAC name is 9-[4-(3-ethenylcyclohexa-1,3-dien-1-yl)butyl]-9-[4-(3-ethenylphenyl)butyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine.

Molecular Properties

Compound Name9-[4-(3-ethenylcyclohexa-1,3-dien-1-yl)butyl]-9-[4-(3-ethenylphenyl)butyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
PubChem CID123336841
Molecular FormulaC69H62N2
Molecular Weight919.27 g/mol
Exact Mass918.49
IUPAC Name9-[4-(3-ethenylcyclohexa-1,3-dien-1-yl)butyl]-9-[4-(3-ethenylphenyl)butyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESC=CC1=CCCC(CCCCC2(CCCCc3cccc(C=C)c3)c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc3-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc32)=C1
InChIInChI=1S/C69H62N2/c1-3-51-25-19-27-53(47-51)23-15-17-45-69(46-18-16-24-54-28-20-26-52(4-2)48-54)65-49-59(70(57-33-7-5-8-34-57)67-39-21-31-55-29-11-13-37-61(55)67)41-43-63(65)64-44-42-60(50-66(64)69)71(58-35-9-6-10-36-58)68-40-22-32-56-30-12-14-38-62(56)68/h3-14,19,21-22,25-27,29-44,47-50H,1-2,15-18,20,23-24,28,45-46H2
InChIKeyMTZKTHFGFCEVAN-UHFFFAOYSA-N
XLogP19.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.27
LogP ≤ 519.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-[4-(3-ethenylcyclohexa-1,3-dien-1-yl)butyl]-9-[4-(3-ethenylphenyl)butyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-ethenylcyclohexa-1,3-dien-1-yl)butyl]-9-[4-(3-ethenylphenyl)butyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
The IUPAC name of 9-[4-(3-ethenylcyclohexa-1,3-dien-1-yl)butyl]-9-[4-(3-ethenylphenyl)butyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine (CID 123336841) is 9-[4-(3-ethenylcyclohexa-1,3-dien-1-yl)butyl]-9-[4-(3-ethenylphenyl)butyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine.
What is the SMILES notation for 9-[4-(3-ethenylcyclohexa-1,3-dien-1-yl)butyl]-9-[4-(3-ethenylphenyl)butyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
The canonical SMILES for 9-[4-(3-ethenylcyclohexa-1,3-dien-1-yl)butyl]-9-[4-(3-ethenylphenyl)butyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine is C=CC1=CCCC(CCCCC2(CCCCc3cccc(C=C)c3)c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc3-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc32)=C1.
What is the InChIKey of 9-[4-(3-ethenylcyclohexa-1,3-dien-1-yl)butyl]-9-[4-(3-ethenylphenyl)butyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
The InChIKey is MTZKTHFGFCEVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H62N2/c1-3-51-25-19-27-53(47-51)23-15-17-45-69(46-18-16-24-54-28-20-26-52(4-2)48-54)65-49-59(70(57-33-7-5-8-34-57)67-39-21-31-55-29-11-13-37-61(55)67)41-43-63(65)64-44-42-60(50-66(64)69)71(58-35-9-6-10-36-58)68-40-22-32-56-30-12-14-38-62(56)68/h3-14,19,21-22,25-27,29-44,47-50H,1-2,15-18,20,23-24,28,45-46H2.
What are the key properties of 9-[4-(3-ethenylcyclohexa-1,3-dien-1-yl)butyl]-9-[4-(3-ethenylphenyl)butyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
9-[4-(3-ethenylcyclohexa-1,3-dien-1-yl)butyl]-9-[4-(3-ethenylphenyl)butyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine has a molecular weight of 919.27 g/mol, XLogP of 19.65, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-ethenylcyclohexa-1,3-dien-1-yl)butyl]-9-[4-(3-ethenylphenyl)butyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine is sourced from PubChem (CID 123336841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).