2-phenyl-4-(6,8,16,18-tetramethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)pyridine

C33H25NO2 — CID 164802902

IUPAC2-phenyl-4-(6,8,16,18-tetramethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)pyridine
SMILESCc1cc(C)c2oc3c(-c4ccnc(-c5ccccc5)c4)c4oc5c(C)cc(C)cc5c4cc3c2c1
InChIInChI=1S/C33H25NO2/c1-18-12-20(3)30-24(14-18)26-17-27-25-15-19(2)13-21(4)31(25)36-33(27)29(32(26)35-30)23-10-11-34-28(16-23)22-8-6-5-7-9-22/h5-17H,1-4H3
InChIKeyZKBJWJZNCHZWHF-UHFFFAOYSA-N
MW467.57 g/mol
LogP9.45
Rot. Bonds2

About 2-phenyl-4-(6,8,16,18-tetramethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)pyridine

2-phenyl-4-(6,8,16,18-tetramethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)pyridine (PubChem CID 164802902) has the molecular formula C33H25NO2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-phenyl-4-(6,8,16,18-tetramethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)pyridine.

Molecular Properties

Compound Name2-phenyl-4-(6,8,16,18-tetramethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)pyridine
PubChem CID164802902
Molecular FormulaC33H25NO2
Molecular Weight467.57 g/mol
Exact Mass467.19
IUPAC Name2-phenyl-4-(6,8,16,18-tetramethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)pyridine
SMILESCc1cc(C)c2oc3c(-c4ccnc(-c5ccccc5)c4)c4oc5c(C)cc(C)cc5c4cc3c2c1
InChIInChI=1S/C33H25NO2/c1-18-12-20(3)30-24(14-18)26-17-27-25-15-19(2)13-21(4)31(25)36-33(27)29(32(26)35-30)23-10-11-34-28(16-23)22-8-6-5-7-9-22/h5-17H,1-4H3
InChIKeyZKBJWJZNCHZWHF-UHFFFAOYSA-N
XLogP9.45
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-4-(6,8,16,18-tetramethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(6,8,16,18-tetramethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)pyridine?
The IUPAC name of 2-phenyl-4-(6,8,16,18-tetramethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)pyridine (CID 164802902) is 2-phenyl-4-(6,8,16,18-tetramethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)pyridine.
What is the SMILES notation for 2-phenyl-4-(6,8,16,18-tetramethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)pyridine?
The canonical SMILES for 2-phenyl-4-(6,8,16,18-tetramethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)pyridine is Cc1cc(C)c2oc3c(-c4ccnc(-c5ccccc5)c4)c4oc5c(C)cc(C)cc5c4cc3c2c1.
What is the InChIKey of 2-phenyl-4-(6,8,16,18-tetramethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)pyridine?
The InChIKey is ZKBJWJZNCHZWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25NO2/c1-18-12-20(3)30-24(14-18)26-17-27-25-15-19(2)13-21(4)31(25)36-33(27)29(32(26)35-30)23-10-11-34-28(16-23)22-8-6-5-7-9-22/h5-17H,1-4H3.
What are the key properties of 2-phenyl-4-(6,8,16,18-tetramethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)pyridine?
2-phenyl-4-(6,8,16,18-tetramethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)pyridine has a molecular weight of 467.57 g/mol, XLogP of 9.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(6,8,16,18-tetramethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)pyridine is sourced from PubChem (CID 164802902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).