10b-methyl-6-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-10aH-phenanthridine

C27H29NO2 — CID 144766088

IUPAC10b-methyl-6-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-10aH-phenanthridine
SMILESCC12C=CC=CC1=NC(c1ccc(C3OC(C)(C)C(C)(C)O3)cc1)=C1C=CC=CC12
InChIInChI=1S/C27H29NO2/c1-25(2)26(3,4)30-24(29-25)19-15-13-18(14-16-19)23-20-10-6-7-11-21(20)27(5)17-9-8-12-22(27)28-23/h6-17,21,24H,1-5H3
InChIKeyGOEIHQNRGSWRBR-UHFFFAOYSA-N
MW399.53 g/mol
LogP6.33
Rot. Bonds2

About 10b-methyl-6-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-10aH-phenanthridine

10b-methyl-6-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-10aH-phenanthridine (PubChem CID 144766088) has the molecular formula C27H29NO2 and a molecular weight of 399.53 g/mol. Its IUPAC name is 10b-methyl-6-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-10aH-phenanthridine.

Molecular Properties

Compound Name10b-methyl-6-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-10aH-phenanthridine
PubChem CID144766088
Molecular FormulaC27H29NO2
Molecular Weight399.53 g/mol
Exact Mass399.22
IUPAC Name10b-methyl-6-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-10aH-phenanthridine
SMILESCC12C=CC=CC1=NC(c1ccc(C3OC(C)(C)C(C)(C)O3)cc1)=C1C=CC=CC12
InChIInChI=1S/C27H29NO2/c1-25(2)26(3,4)30-24(29-25)19-15-13-18(14-16-19)23-20-10-6-7-11-21(20)27(5)17-9-8-12-22(27)28-23/h6-17,21,24H,1-5H3
InChIKeyGOEIHQNRGSWRBR-UHFFFAOYSA-N
XLogP6.33
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10b-methyl-6-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-10aH-phenanthridine?
The IUPAC name of 10b-methyl-6-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-10aH-phenanthridine (CID 144766088) is 10b-methyl-6-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-10aH-phenanthridine.
What is the SMILES notation for 10b-methyl-6-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-10aH-phenanthridine?
The canonical SMILES for 10b-methyl-6-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-10aH-phenanthridine is CC12C=CC=CC1=NC(c1ccc(C3OC(C)(C)C(C)(C)O3)cc1)=C1C=CC=CC12.
What is the InChIKey of 10b-methyl-6-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-10aH-phenanthridine?
The InChIKey is GOEIHQNRGSWRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO2/c1-25(2)26(3,4)30-24(29-25)19-15-13-18(14-16-19)23-20-10-6-7-11-21(20)27(5)17-9-8-12-22(27)28-23/h6-17,21,24H,1-5H3.
What are the key properties of 10b-methyl-6-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-10aH-phenanthridine?
10b-methyl-6-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-10aH-phenanthridine has a molecular weight of 399.53 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-methyl-6-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-10aH-phenanthridine is sourced from PubChem (CID 144766088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).