2-naphthalen-2-yl-2-propan-2-yl-5-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]pentanenitrile

C38H38N2 — CID 22990682

IUPAC2-naphthalen-2-yl-2-propan-2-yl-5-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]pentanenitrile
SMILESCC(C)C(C#N)(CCCN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C38H38N2/c1-28(2)38(27-39,34-19-18-29-10-3-4-13-33(29)26-34)22-9-23-40-24-20-32(21-25-40)37-35-14-7-5-11-30(35)16-17-31-12-6-8-15-36(31)37/h3-8,10-19,26,28H,9,20-25H2,1-2H3
InChIKeyKVSCKWMBEFQMKM-UHFFFAOYSA-N
MW522.74 g/mol
LogP9.12
Rot. Bonds6

About 2-naphthalen-2-yl-2-propan-2-yl-5-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]pentanenitrile

2-naphthalen-2-yl-2-propan-2-yl-5-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]pentanenitrile (PubChem CID 22990682) has the molecular formula C38H38N2 and a molecular weight of 522.74 g/mol. Its IUPAC name is 2-naphthalen-2-yl-2-propan-2-yl-5-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-naphthalen-2-yl-2-propan-2-yl-5-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]pentanenitrile
PubChem CID22990682
Molecular FormulaC38H38N2
Molecular Weight522.74 g/mol
Exact Mass522.30
IUPAC Name2-naphthalen-2-yl-2-propan-2-yl-5-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]pentanenitrile
SMILESCC(C)C(C#N)(CCCN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C38H38N2/c1-28(2)38(27-39,34-19-18-29-10-3-4-13-33(29)26-34)22-9-23-40-24-20-32(21-25-40)37-35-14-7-5-11-30(35)16-17-31-12-6-8-15-36(31)37/h3-8,10-19,26,28H,9,20-25H2,1-2H3
InChIKeyKVSCKWMBEFQMKM-UHFFFAOYSA-N
XLogP9.12
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.74
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-2-propan-2-yl-5-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]pentanenitrile?
The IUPAC name of 2-naphthalen-2-yl-2-propan-2-yl-5-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]pentanenitrile (CID 22990682) is 2-naphthalen-2-yl-2-propan-2-yl-5-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]pentanenitrile.
What is the SMILES notation for 2-naphthalen-2-yl-2-propan-2-yl-5-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]pentanenitrile?
The canonical SMILES for 2-naphthalen-2-yl-2-propan-2-yl-5-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]pentanenitrile is CC(C)C(C#N)(CCCN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1)c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-2-propan-2-yl-5-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]pentanenitrile?
The InChIKey is KVSCKWMBEFQMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N2/c1-28(2)38(27-39,34-19-18-29-10-3-4-13-33(29)26-34)22-9-23-40-24-20-32(21-25-40)37-35-14-7-5-11-30(35)16-17-31-12-6-8-15-36(31)37/h3-8,10-19,26,28H,9,20-25H2,1-2H3.
What are the key properties of 2-naphthalen-2-yl-2-propan-2-yl-5-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]pentanenitrile?
2-naphthalen-2-yl-2-propan-2-yl-5-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]pentanenitrile has a molecular weight of 522.74 g/mol, XLogP of 9.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-2-propan-2-yl-5-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]pentanenitrile is sourced from PubChem (CID 22990682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).